Unclassified Organic Compounds

Organic compounds that do not fit into any other organic chemical classification.

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3,196 – 3,210 of 204,741 results

3,196

Di-tert-butyl L-Aspartate Hydrochloride 98.0+%, TCI America™

CAS: 1791-13-5 Molecular Formula: C12H24ClNO4 Molecular Weight (g/mol): 281.777 MDL Number: MFCD00034851 InChI Key: GVLZIMQSYQDAHB-QRPNPIFTSA-N Synonym: h-asp otbu-otbu.hcl,l-aspartic acid di-tert-butyl ester hydrochloride,s-di-tert-butyl 2-aminosuccinate hydrochloride,h-asp otbu-otbu hcl,di-tert-butyl l-aspartate hydrochloride,l-aspartic acid, bis 1,1-dimethylethyl ester, hydrochloride,l-aspartic acid di-t-butyl ester hydrochloride,h-asp obut-obut·hcl,1,4-di-tert-butyl 2s-2-aminobutanedioate hydrochloride,h-asp otbu-otbucl PubChem CID: 13768146 IUPAC Name: ditert-butyl (2S)-2-aminobutanedioate;hydrochloride SMILES: CC(C)(C)OC(=O)CC(C(=O)OC(C)(C)C)N.Cl

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Specifications

PubChem CID	13768146
CAS	1791-13-5
Molecular Weight (g/mol)	281.777
MDL Number	MFCD00034851
SMILES	CC(C)(C)OC(=O)CC(C(=O)OC(C)(C)C)N.Cl
Synonym	h-asp otbu-otbu.hcl,l-aspartic acid di-tert-butyl ester hydrochloride,s-di-tert-butyl 2-aminosuccinate hydrochloride,h-asp otbu-otbu hcl,di-tert-butyl l-aspartate hydrochloride,l-aspartic acid, bis 1,1-dimethylethyl ester, hydrochloride,l-aspartic acid di-t-butyl ester hydrochloride,h-asp obut-obut·hcl,1,4-di-tert-butyl 2s-2-aminobutanedioate hydrochloride,h-asp otbu-otbucl
IUPAC Name	ditert-butyl (2S)-2-aminobutanedioate;hydrochloride
InChI Key	GVLZIMQSYQDAHB-QRPNPIFTSA-N
Molecular Formula	C12H24ClNO4

3,197

4-[2-(trans-4-Pentylcyclohexyl)ethyl]cyclohexanone 98.0+%, TCI America™

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3,198

(S)-[4-(Pyridin-4-yl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepine-2,6-diyl]bis[bis[4-(tert-butyl)phenyl- 85+%, TCI America™

CAS: 1883396-49-3 Molecular Formula: C69H72N2O2

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Specifications

CAS	1883396-49-3
Molecular Formula	C69H72N2O2

3,199

4-(3-Pyridyl)phenylboronic Acid Hydrochloride (contains varying amounts of Anhydride), TCI America™

Molecular Formula: C11H10BNO2 Synonym: 4-(3-Pyridyl)benzeneboronic Acid Hydrochloride

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Specifications

Synonym	4-(3-Pyridyl)benzeneboronic Acid Hydrochloride
Molecular Formula	C11H10BNO2

3,200

Phenyl(2,4,6-trimethoxyphenyl)iodonium p-Toluenesulfonate 93.0+%, TCI America™

CAS: 936326-60-2 Molecular Formula: C22H23IO6S Molecular Weight (g/mol): 542.384 InChI Key: GGEMRLZODUITOC-UHFFFAOYSA-M Synonym: Phenyl(2,4,6-trimethoxyphenyl)iodonium Tosylate PubChem CID: 131697920 IUPAC Name: 4-methylbenzenesulfonate;phenyl-(2,4,6-trimethoxyphenyl)iodanium SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=CC(=C(C(=C1)OC)[I+]C2=CC=CC=C2)OC

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Specifications

PubChem CID	131697920
CAS	936326-60-2
Molecular Weight (g/mol)	542.384
SMILES	CC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=CC(=C(C(=C1)OC)[I+]C2=CC=CC=C2)OC
Synonym	Phenyl(2,4,6-trimethoxyphenyl)iodonium Tosylate
IUPAC Name	4-methylbenzenesulfonate;phenyl-(2,4,6-trimethoxyphenyl)iodanium
InChI Key	GGEMRLZODUITOC-UHFFFAOYSA-M
Molecular Formula	C22H23IO6S

3,201

Piperazine Dihydriodide 98.0+%, TCI America™

CAS: 58464-47-4 Molecular Formula: C4H12I2N2 Molecular Weight (g/mol): 341.96 MDL Number: MFCD00054377 InChI Key: QZCGFUVVXNFSLE-UHFFFAOYSA-N Synonym: Piperazinium Diiodide, Piperazinium Iodide PubChem CID: 20068687 IUPAC Name: piperazine dihydroiodide SMILES: I.I.C1CNCCN1

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Specifications

PubChem CID	20068687
CAS	58464-47-4
Molecular Weight (g/mol)	341.96
MDL Number	MFCD00054377
SMILES	I.I.C1CNCCN1
Synonym	Piperazinium Diiodide, Piperazinium Iodide
IUPAC Name	piperazine dihydroiodide
InChI Key	QZCGFUVVXNFSLE-UHFFFAOYSA-N
Molecular Formula	C4H12I2N2

3,202

Pneumocandin B0 96.0+%, TCI America™

CAS: 135575-42-7 Molecular Formula: C50H80N8O17 Molecular Weight (g/mol): 1065.229 MDL Number: MFCD28168025 InChI Key: DQXPFAADCTZLNL-NRCXNPJQSA-N PubChem CID: 133562761 SMILES: CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(CCN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(CC(=O)N)O)O)O)O

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Specifications

PubChem CID	133562761
CAS	135575-42-7
Molecular Weight (g/mol)	1065.229
MDL Number	MFCD28168025
SMILES	CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(CCN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(CC(=O)N)O)O)O)O
InChI Key	DQXPFAADCTZLNL-NRCXNPJQSA-N
Molecular Formula	C50H80N8O17

3,203

(1R,2R,5R)-(+)-2-Hydroxy-3-pinanone 98.0+%, TCI America™

CAS: 24047-72-1 Molecular Formula: C10H16O2 Molecular Weight (g/mol): 168.236 MDL Number: MFCD00191522 InChI Key: VZRRCQOUNSHSGB-BRDIYROLSA-N Synonym: (1R,2R,5R)-(+)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one PubChem CID: 6553882 IUPAC Name: (1R,4R,5R)-4-hydroxy-4,6,6-trimethylbicyclo[3.1.1]heptan-3-one SMILES: CC1(C2CC1C(C(=O)C2)(C)O)C

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Specifications

PubChem CID	6553882
CAS	24047-72-1
Molecular Weight (g/mol)	168.236
MDL Number	MFCD00191522
SMILES	CC1(C2CC1C(C(=O)C2)(C)O)C
Synonym	(1R,2R,5R)-(+)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
IUPAC Name	(1R,4R,5R)-4-hydroxy-4,6,6-trimethylbicyclo[3.1.1]heptan-3-one
InChI Key	VZRRCQOUNSHSGB-BRDIYROLSA-N
Molecular Formula	C10H16O2

3,204

N,N',N″,N‴-Tetraacetylchitotetraose 98.0+%, TCI America™

CAS: 2706-65-2 Molecular Formula: C32H54N4O21 Molecular Weight (g/mol): 830.791 MDL Number: MFCD00136030 InChI Key: VDENSBHPZQKGGL-YCAJNKKBSA-N Synonym: Tetra-N-acetylchitotetraose, GlcNAc beta(1-4)GlcNAc beta(1-4)GlcNAc beta(1-4)GlcNAc PubChem CID: 131698500 IUPAC Name: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxyme SMILES: CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)NC(=O)C)OC3C(OC(C(C3O)NC(=O)C)OC(C(CO)O)C(C(C=O)NC(=O)C)O)CO)CO)CO)O)O

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Specifications

PubChem CID	131698500
CAS	2706-65-2
Molecular Weight (g/mol)	830.791
MDL Number	MFCD00136030
SMILES	CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)NC(=O)C)OC3C(OC(C(C3O)NC(=O)C)OC(C(CO)O)C(C(C=O)NC(=O)C)O)CO)CO)CO)O)O
Synonym	Tetra-N-acetylchitotetraose, GlcNAc beta(1-4)GlcNAc beta(1-4)GlcNAc beta(1-4)GlcNAc
IUPAC Name	N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxyme
InChI Key	VDENSBHPZQKGGL-YCAJNKKBSA-N
Molecular Formula	C32H54N4O21

3,205

Tetrahydroxydiborane, TCI America™

CAS: 13675-18-8 Molecular Formula: B2H4O4 Molecular Weight (g/mol): 89.65 MDL Number: MFCD05663888 InChI Key: SKOWZLGOFVSKLB-UHFFFAOYSA-N Synonym: Tetrahydroxydiboron, Diboronic Acid, Hypodiboric Acid PubChem CID: 10986154 ChEBI: CHEBI:38289 IUPAC Name: (dihydroxyboranyl)boronic acid SMILES: OB(O)B(O)O

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Specifications

PubChem CID	10986154
CAS	13675-18-8
Molecular Weight (g/mol)	89.65
ChEBI	CHEBI:38289
MDL Number	MFCD05663888
SMILES	OB(O)B(O)O
Synonym	Tetrahydroxydiboron, Diboronic Acid, Hypodiboric Acid
IUPAC Name	(dihydroxyboranyl)boronic acid
InChI Key	SKOWZLGOFVSKLB-UHFFFAOYSA-N
Molecular Formula	B2H4O4

3,206

Thionicotinamide Adenine Dinucleotide oxidized form 95.0+%, TCI America™

CAS: 4090-29-3 Molecular Formula: C21H27N7O13P2S Molecular Weight (g/mol): 679.491 MDL Number: MFCD00079609 InChI Key: UQYPZLRUJKCREN-WWRWIPRPSA-N Synonym: Thionicotinamide-DPN PubChem CID: 91972082 IUPAC Name: [[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,4S,5R)-5-(3-carbamothioylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=S)N

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Specifications

PubChem CID	91972082
CAS	4090-29-3
Molecular Weight (g/mol)	679.491
MDL Number	MFCD00079609
SMILES	C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=S)N
Synonym	Thionicotinamide-DPN
IUPAC Name	[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,4S,5R)-5-(3-carbamothioylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
InChI Key	UQYPZLRUJKCREN-WWRWIPRPSA-N
Molecular Formula	C21H27N7O13P2S

3,207

Methyl 2,5-Bis(trifluoromethyl)-3,6-dioxaundecafluorononanoate (mixture of isomers) 95.0+%, TCI America™

CAS: 26131-32-8 Molecular Formula: C10H3F17O4 Molecular Weight (g/mol): 510.103 MDL Number: MFCD00054723 InChI Key: UMADKHFVSXRTGY-UHFFFAOYSA-N Synonym: methyl 2,3,3,3-tetrafluoro-2-1,1,2,3,3,3-hexafluoro-2-perfluoropropoxy propoxy propanoate,perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester,methyl 2,3,3,3-tetrafluoro-2-1,1,2,3,3,3-hexafluoro-2-1,1,2,2,3,3,3-heptafluoropropoxy propoxy propanoate,methyl 2,3,3,3-tetrafluoro-2-1,1,2,3,3,3-hexafluoro-2-heptafluoropropoxy propoxy propanoate,cf3cf2cf2ocf cf3 cf2ocf cf3 cooch3,methyl perfluoro-2,5-dimethyl-3,6-dioxa-nonanoate,methyl 2,5-bis trifluoromethyl-3,6-dioxaundecafluorononanoate,2,5-bis trifluoromethyl-3,6-dioxaundecafluorononanoic acid methyl ester,2-2-heptafluoropropoxy hexafluoropropoxy-2,3,3,3-tetrafluoropropionic acid methyl ester,methyl2,5-bis trifluoromethyl-3,6-dioxaundecafluorononanoate mixtureofisomers PubChem CID: 141268 IUPAC Name: methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoate SMILES: COC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F

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Specifications

PubChem CID	141268
CAS	26131-32-8
Molecular Weight (g/mol)	510.103
MDL Number	MFCD00054723
SMILES	COC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F
Synonym	methyl 2,3,3,3-tetrafluoro-2-1,1,2,3,3,3-hexafluoro-2-perfluoropropoxy propoxy propanoate,perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester,methyl 2,3,3,3-tetrafluoro-2-1,1,2,3,3,3-hexafluoro-2-1,1,2,2,3,3,3-heptafluoropropoxy propoxy propanoate,methyl 2,3,3,3-tetrafluoro-2-1,1,2,3,3,3-hexafluoro-2-heptafluoropropoxy propoxy propanoate,cf3cf2cf2ocf cf3 cf2ocf cf3 cooch3,methyl perfluoro-2,5-dimethyl-3,6-dioxa-nonanoate,methyl 2,5-bis trifluoromethyl-3,6-dioxaundecafluorononanoate,2,5-bis trifluoromethyl-3,6-dioxaundecafluorononanoic acid methyl ester,2-2-heptafluoropropoxy hexafluoropropoxy-2,3,3,3-tetrafluoropropionic acid methyl ester,methyl2,5-bis trifluoromethyl-3,6-dioxaundecafluorononanoate mixtureofisomers
IUPAC Name	methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoate
InChI Key	UMADKHFVSXRTGY-UHFFFAOYSA-N
Molecular Formula	C10H3F17O4

3,208

2,5-Dimethylcyclohexanone (mixture of isomers) 95.0+%, TCI America™

CAS: 932-51-4 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.20 MDL Number: MFCD00045551 InChI Key: LUGFNAYTNQMMMY-UHFFFAOYNA-N PubChem CID: 523055 IUPAC Name: 2,5-dimethylcyclohexan-1-one SMILES: CC1CCC(C)C(=O)C1

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Specifications

PubChem CID	523055
CAS	932-51-4
Molecular Weight (g/mol)	126.20
MDL Number	MFCD00045551
SMILES	CC1CCC(C)C(=O)C1
IUPAC Name	2,5-dimethylcyclohexan-1-one
InChI Key	LUGFNAYTNQMMMY-UHFFFAOYNA-N
Molecular Formula	C8H14O

3,209

Tetra-O-acetyl-beta-D-ribopyranose 98.0+%, TCI America™

CAS: 4049-34-7 Molecular Formula: C13H18O9 Molecular Weight (g/mol): 318.278 MDL Number: MFCD00006596 InChI Key: MJOQJPYNENPSSS-LPWJVIDDSA-N Synonym: tetra-o-acetyl-beta-d-ribopyranose,2s,3r,4r,5r-tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,1,2,3,4-tetra-o-acetyl-b-d-ribopyranose,beta-d-ribopyranose 1,2,3,4-tetraacetate,3r,4r,5r,6s-4,5,6-triacetyloxyoxan-3-yl acetate,2s,3r,4r,5r-2,4,5-tris acetyloxy oxan-3-yl acetate,beta-d-ribopyranose tetraacetate,mjoqjpynenpsss-lpwjviddsa,1,2,3,4-tetra-o-acetyl-,a-d-ribopyranose,b-d-ribopyranose 1,2,3,4-tetraacetate PubChem CID: 97336 IUPAC Name: [(3R,4R,5R,6S)-4,5,6-triacetyloxyoxan-3-yl] acetate SMILES: CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)OC(=O)C

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Specifications

PubChem CID	97336
CAS	4049-34-7
Molecular Weight (g/mol)	318.278
MDL Number	MFCD00006596
SMILES	CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)OC(=O)C
Synonym	tetra-o-acetyl-beta-d-ribopyranose,2s,3r,4r,5r-tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,1,2,3,4-tetra-o-acetyl-b-d-ribopyranose,beta-d-ribopyranose 1,2,3,4-tetraacetate,3r,4r,5r,6s-4,5,6-triacetyloxyoxan-3-yl acetate,2s,3r,4r,5r-2,4,5-tris acetyloxy oxan-3-yl acetate,beta-d-ribopyranose tetraacetate,mjoqjpynenpsss-lpwjviddsa,1,2,3,4-tetra-o-acetyl-,a-d-ribopyranose,b-d-ribopyranose 1,2,3,4-tetraacetate
IUPAC Name	[(3R,4R,5R,6S)-4,5,6-triacetyloxyoxan-3-yl] acetate
InChI Key	MJOQJPYNENPSSS-LPWJVIDDSA-N
Molecular Formula	C13H18O9

3,210

2-Bromo-8-iododibenzofuran 98.0+%, TCI America™

CAS: 916435-41-1 Molecular Formula: C12H6BrIO Molecular Weight (g/mol): 372.987 InChI Key: YMEVNDQRPHHDRH-UHFFFAOYSA-N PubChem CID: 67335932 IUPAC Name: 2-bromo-8-iododibenzofuran SMILES: C1=CC2=C(C=C1Br)C3=C(O2)C=CC(=C3)I

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Specifications

PubChem CID	67335932
CAS	916435-41-1
Molecular Weight (g/mol)	372.987
SMILES	C1=CC2=C(C=C1Br)C3=C(O2)C=CC(=C3)I
IUPAC Name	2-bromo-8-iododibenzofuran
InChI Key	YMEVNDQRPHHDRH-UHFFFAOYSA-N
Molecular Formula	C12H6BrIO

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