Unclassified Organic Compounds

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

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2,836 – 2,850 of 207,013 results

2,836

Iodomesitylene Diacetate 98.0+%, TCI America™

CAS: 33035-41-5 Molecular Formula: C13H17IO4 MDL Number: MFCD00674196 Synonym: 2-(Diacetoxyiodo)mesitylene, 2,4,6-Trimethyl(diacetoxyiodo)benzene, 2,4,6-Trimethyliodobenzene Diacetate

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CAS	33035-41-5
MDL Number	MFCD00674196
Synonym	2-(Diacetoxyiodo)mesitylene, 2,4,6-Trimethyl(diacetoxyiodo)benzene, 2,4,6-Trimethyliodobenzene Diacetate
Molecular Formula	C13H17IO4

2,837

3,4-Dimethylheptane 96.0+%, TCI America™

CAS: 922-28-1 Molecular Formula: C9H20 Molecular Weight (g/mol): 128.26 MDL Number: MFCD00048736 InChI Key: MAKRYGRRIKSDES-UHFFFAOYNA-N PubChem CID: 13534 IUPAC Name: 3,4-dimethylheptane SMILES: CCCC(C)C(C)CC

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PubChem CID	13534
CAS	922-28-1
Molecular Weight (g/mol)	128.26
MDL Number	MFCD00048736
SMILES	CCCC(C)C(C)CC
IUPAC Name	3,4-dimethylheptane
InChI Key	MAKRYGRRIKSDES-UHFFFAOYNA-N
Molecular Formula	C9H20

2,838

Sinigrin Hydrate 98.0+%, TCI America™

CAS: 3952-98-5 Molecular Formula: C10H16KNO9S2 Molecular Weight (g/mol): 397.454 MDL Number: MFCD00006616 InChI Key: QKFAFSGJTMHRRY-IMCRRPDGSA-M Synonym: potassium myronate,prop-2-enyl glucosinolate PubChem CID: 122130679 IUPAC Name: potassium;[(E)-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbut-3-enylideneamino] sulfate SMILES: C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+]

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PubChem CID	122130679
CAS	3952-98-5
Molecular Weight (g/mol)	397.454
MDL Number	MFCD00006616
SMILES	C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+]
Synonym	potassium myronate,prop-2-enyl glucosinolate
IUPAC Name	potassium;[(E)-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbut-3-enylideneamino] sulfate
InChI Key	QKFAFSGJTMHRRY-IMCRRPDGSA-M
Molecular Formula	C10H16KNO9S2

2,839

2-Propylcyclohexanone 98.0+%, TCI America™

CAS: 94-65-5 Molecular Formula: C9H16O Molecular Weight (g/mol): 140.23 MDL Number: MFCD00019464 InChI Key: OCJLPZCBZSCVCO-UHFFFAOYNA-N PubChem CID: 7199 IUPAC Name: 2-propylcyclohexan-1-one SMILES: CCCC1CCCCC1=O

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PubChem CID	7199
CAS	94-65-5
Molecular Weight (g/mol)	140.23
MDL Number	MFCD00019464
SMILES	CCCC1CCCCC1=O
IUPAC Name	2-propylcyclohexan-1-one
InChI Key	OCJLPZCBZSCVCO-UHFFFAOYNA-N
Molecular Formula	C9H16O

2,840

5-Chloro-2-adamantanone 98.0+%, TCI America™

CAS: 20098-17-3 Molecular Formula: C10H13ClO Molecular Weight (g/mol): 184.663 MDL Number: MFCD00798599 InChI Key: JPEOUSFBWXVGFX-UHFFFAOYSA-N Synonym: 5-chloro-2-adamantanone,5-chloro-2-adamantone,adamantan-4-one, 1-chloro,acmc-1cljc,5-chloro-2 adamantanone,8-chloroadamantan-2-one,5-chloroadamantane-2-one,5-chloranyladamantan-2-one,tricyclo 3.3.1.1∼3,7∼ decan-2-one, 5-chloro PubChem CID: 334400 IUPAC Name: 5-chloroadamantan-2-one SMILES: C1C2CC3CC(C2)(CC1C3=O)Cl

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Specifications

PubChem CID	334400
CAS	20098-17-3
Molecular Weight (g/mol)	184.663
MDL Number	MFCD00798599
SMILES	C1C2CC3CC(C2)(CC1C3=O)Cl
Synonym	5-chloro-2-adamantanone,5-chloro-2-adamantone,adamantan-4-one, 1-chloro,acmc-1cljc,5-chloro-2 adamantanone,8-chloroadamantan-2-one,5-chloroadamantane-2-one,5-chloranyladamantan-2-one,tricyclo 3.3.1.1∼3,7∼ decan-2-one, 5-chloro
IUPAC Name	5-chloroadamantan-2-one
InChI Key	JPEOUSFBWXVGFX-UHFFFAOYSA-N
Molecular Formula	C10H13ClO

2,841

4-Cyano-4'-dodecylbiphenyl 97.0+%, TCI America™

CAS: 57125-49-2 Molecular Formula: C25H33N Molecular Weight (g/mol): 347.546 MDL Number: MFCD08062573 InChI Key: YTXPODSLSFRTBJ-UHFFFAOYSA-N PubChem CID: 92673 IUPAC Name: 4-(4-dodecylphenyl)benzonitrile SMILES: CCCCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

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Specifications

PubChem CID	92673
CAS	57125-49-2
Molecular Weight (g/mol)	347.546
MDL Number	MFCD08062573
SMILES	CCCCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
IUPAC Name	4-(4-dodecylphenyl)benzonitrile
InChI Key	YTXPODSLSFRTBJ-UHFFFAOYSA-N
Molecular Formula	C25H33N

2,842

Tetrafluoro-1,4-benzoquinone 98.0+%, TCI America™

CAS: 527-21-9 Molecular Formula: C6F4O2 Molecular Weight (g/mol): 180.06 MDL Number: MFCD00001592 InChI Key: JKLYZOGJWVAIQS-UHFFFAOYSA-N Synonym: tetrafluoro-1,4-benzoquinone,fluoranil,p-fluoranil,tetrafluoroquinone,tetrafluoro-p-benzoquinone,fluoroanil,tetrafluorocyclohexa-2,5-diene-1,4-dione,2,5-cyclohexadiene-1,4-dione, 2,3,5,6-tetrafluoro,2,3,5,6-tetrafluoro-1,4-benzoquinone,2,3,5,6-tetrafluoro 1,4 benzoquinone PubChem CID: 68239 IUPAC Name: tetrafluorocyclohexa-2,5-diene-1,4-dione SMILES: FC1=C(F)C(=O)C(F)=C(F)C1=O

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PubChem CID	68239
CAS	527-21-9
Molecular Weight (g/mol)	180.06
MDL Number	MFCD00001592
SMILES	FC1=C(F)C(=O)C(F)=C(F)C1=O
Synonym	tetrafluoro-1,4-benzoquinone,fluoranil,p-fluoranil,tetrafluoroquinone,tetrafluoro-p-benzoquinone,fluoroanil,tetrafluorocyclohexa-2,5-diene-1,4-dione,2,5-cyclohexadiene-1,4-dione, 2,3,5,6-tetrafluoro,2,3,5,6-tetrafluoro-1,4-benzoquinone,2,3,5,6-tetrafluoro 1,4 benzoquinone
IUPAC Name	tetrafluorocyclohexa-2,5-diene-1,4-dione
InChI Key	JKLYZOGJWVAIQS-UHFFFAOYSA-N
Molecular Formula	C6F4O2

2,843

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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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

2,844

3,5-Dimethyloctane 98.0+%, TCI America™

CAS: 15869-93-9 Molecular Formula: C10H22 Molecular Weight (g/mol): 142.29 MDL Number: MFCD00048739 InChI Key: VRHRGVJOUHJULC-UHFFFAOYNA-N PubChem CID: 139989 ChEBI: CHEBI:84237 IUPAC Name: 3,5-dimethyloctane SMILES: CCCC(C)CC(C)CC

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Specifications

PubChem CID	139989
CAS	15869-93-9
Molecular Weight (g/mol)	142.29
ChEBI	CHEBI:84237
MDL Number	MFCD00048739
SMILES	CCCC(C)CC(C)CC
IUPAC Name	3,5-dimethyloctane
InChI Key	VRHRGVJOUHJULC-UHFFFAOYNA-N
Molecular Formula	C10H22

2,845

4-Dimethylaminopyridinium Bromide Perbromide 97.0+%, TCI America™

CAS: 92976-81-3 Molecular Formula: C7H10Br3N2- Molecular Weight (g/mol): 361.883 MDL Number: MFCD00043439 InChI Key: TYDZHQMKSLAFKM-UHFFFAOYSA-N Synonym: 4-dimethylamino pyridine hydrobromide perbromide PubChem CID: 131863682 SMILES: CN(C)C1=CC=NC=C1.Br[Br-]Br

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Specifications

PubChem CID	131863682
CAS	92976-81-3
Molecular Weight (g/mol)	361.883
MDL Number	MFCD00043439
SMILES	CN(C)C1=CC=NC=C1.Br[Br-]Br
Synonym	4-dimethylamino pyridine hydrobromide perbromide
InChI Key	TYDZHQMKSLAFKM-UHFFFAOYSA-N
Molecular Formula	C7H10Br3N2-

2,846

Triquinoyl Hydrate 95.0+%, TCI America™

CAS: 527-31-1 Molecular Formula: C6O6 Molecular Weight (g/mol): 168.06 MDL Number: MFCD00001652,MFCD00149074 InChI Key: PKRGYJHUXHCUCN-UHFFFAOYSA-N Synonym: cyclohexanehexone,triquinoyl,cyclohexane-1,2,3,4,5,6-hexaone,cyclohexanehexaone,hexaketocyclohexane,unii-7zr8062lfd,trichinoyl,hexaoxocyclohexane,hexaoxocyclohexaneoctahydrate,cyclohexane-hexone, octahydrate PubChem CID: 68240 IUPAC Name: cyclohexane-1,2,3,4,5,6-hexone SMILES: O=C1C(=O)C(=O)C(=O)C(=O)C1=O

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PubChem CID	68240
CAS	527-31-1
Molecular Weight (g/mol)	168.06
MDL Number	MFCD00001652,MFCD00149074
SMILES	O=C1C(=O)C(=O)C(=O)C(=O)C1=O
Synonym	cyclohexanehexone,triquinoyl,cyclohexane-1,2,3,4,5,6-hexaone,cyclohexanehexaone,hexaketocyclohexane,unii-7zr8062lfd,trichinoyl,hexaoxocyclohexane,hexaoxocyclohexaneoctahydrate,cyclohexane-hexone, octahydrate
IUPAC Name	cyclohexane-1,2,3,4,5,6-hexone
InChI Key	PKRGYJHUXHCUCN-UHFFFAOYSA-N
Molecular Formula	C6O6

2,847

Diphenyliodonium-2-carboxylate Monohydrate 98.0+%, TCI America™

CAS: 96195-89-0 Molecular Formula: C13H11IO3 Molecular Weight (g/mol): 342.132 MDL Number: MFCD00150328 InChI Key: NHCFFVMWVHFFSJ-UHFFFAOYSA-N Synonym: (2-Carboxyphenyl)phenyliodonium Hydroxide Inner Salt PubChem CID: 22271963 IUPAC Name: 2-phenyliodoniobenzoate;hydrate SMILES: C1=CC=C(C=C1)[I+]C2=CC=CC=C2C(=O)[O-].O

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Specifications

PubChem CID	22271963
CAS	96195-89-0
Molecular Weight (g/mol)	342.132
MDL Number	MFCD00150328
SMILES	C1=CC=C(C=C1)[I+]C2=CC=CC=C2C(=O)[O-].O
Synonym	(2-Carboxyphenyl)phenyliodonium Hydroxide Inner Salt
IUPAC Name	2-phenyliodoniobenzoate;hydrate
InChI Key	NHCFFVMWVHFFSJ-UHFFFAOYSA-N
Molecular Formula	C13H11IO3

2,848

Isobutylcyclohexane 98.0+%, TCI America™

CAS: 1678-98-4 Molecular Formula: C10H20 Molecular Weight (g/mol): 140.27 MDL Number: MFCD00013767 InChI Key: FFROMNOQCNVNIH-UHFFFAOYSA-N Synonym: isobutylcyclohexane,cyclohexane, isobutyl,cyclohexane, 2-methylpropyl,i-butylcyclohexane,acmc-209dx9,2-methyl-propyl-cyclohexane PubChem CID: 15508 IUPAC Name: 2-methylpropylcyclohexane SMILES: CC(C)CC1CCCCC1

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PubChem CID	15508
CAS	1678-98-4
Molecular Weight (g/mol)	140.27
MDL Number	MFCD00013767
SMILES	CC(C)CC1CCCCC1
Synonym	isobutylcyclohexane,cyclohexane, isobutyl,cyclohexane, 2-methylpropyl,i-butylcyclohexane,acmc-209dx9,2-methyl-propyl-cyclohexane
IUPAC Name	2-methylpropylcyclohexane
InChI Key	FFROMNOQCNVNIH-UHFFFAOYSA-N
Molecular Formula	C10H20

2,849

5-Bromo-4-chloro-3-indolyl Phosphate p-Toluidine Salt 98.0+%, TCI America™

CAS: 6578-06-9 Molecular Formula: C15H15BrClN2O4P Molecular Weight (g/mol): 433.62 MDL Number: MFCD00040636 InChI Key: QEIFSLUFHRCVQL-UHFFFAOYSA-N Synonym: X-Phosphate p-Toluidine Salt

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CAS	6578-06-9
Molecular Weight (g/mol)	433.62
MDL Number	MFCD00040636
Synonym	X-Phosphate p-Toluidine Salt
InChI Key	QEIFSLUFHRCVQL-UHFFFAOYSA-N
Molecular Formula	C15H15BrClN2O4P

2,850

(R)-2-Octyl 4-[4-(Hexyloxy)benzoyloxy]benzoate 98.0+%, TCI America™

CAS: 133676-09-2 Molecular Formula: C28H38O5 Molecular Weight (g/mol): 454.607 MDL Number: MFCD21603881 InChI Key: PLGPDUBTEHIWRH-JOCHJYFZSA-N Synonym: 4-[4-(Hexyloxy)benzoyloxy]benzoic Acid (R)-2-Octyl Ester PubChem CID: 60123248 IUPAC Name: [4-[(2R)-octan-2-yl]oxycarbonylphenyl] 4-hexoxybenzoate SMILES: CCCCCCC(C)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCC

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Specifications

PubChem CID	60123248
CAS	133676-09-2
Molecular Weight (g/mol)	454.607
MDL Number	MFCD21603881
SMILES	CCCCCCC(C)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCC
Synonym	4-[4-(Hexyloxy)benzoyloxy]benzoic Acid (R)-2-Octyl Ester
IUPAC Name	[4-[(2R)-octan-2-yl]oxycarbonylphenyl] 4-hexoxybenzoate
InChI Key	PLGPDUBTEHIWRH-JOCHJYFZSA-N
Molecular Formula	C28H38O5

Unclassified Organic Compounds

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