2-[(1S)-1-hydroxypropyl]cyclohexan-1-one

C9H16O2 — CID 10749429

IUPAC2-[(1S)-1-hydroxypropyl]cyclohexan-1-one
SMILESCC[C@H](O)C1CCCCC1=O
InChIInChI=1S/C9H16O2/c1-2-8(10)7-5-3-4-6-9(7)11/h7-8,10H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyRFFJGNBKNOWRDB-MQWKRIRWSA-N
MW156.22 g/mol
LogP1.52
Rot. Bonds2

About 2-[(1S)-1-hydroxypropyl]cyclohexan-1-one

2-[(1S)-1-hydroxypropyl]cyclohexan-1-one (PubChem CID 10749429) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-[(1S)-1-hydroxypropyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(1S)-1-hydroxypropyl]cyclohexan-1-one
PubChem CID10749429
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-[(1S)-1-hydroxypropyl]cyclohexan-1-one
SMILESCC[C@H](O)C1CCCCC1=O
InChIInChI=1S/C9H16O2/c1-2-8(10)7-5-3-4-6-9(7)11/h7-8,10H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyRFFJGNBKNOWRDB-MQWKRIRWSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-hydroxybutyl)cycloheptan-1-one
CID 22618934
(2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one
CID 6992619
2-butan-2-ylcyclohexan-1-one;ethanol
CID 175323159
(2R)-2-[(R)-hydroxy(phenyl)methyl]cyclohexan-1-one
CID 7038954
(2R)-2-[(S)-hydroxy-(4-methylphenyl)methyl]cyclododecan-1-one
CID 139176180
(2S)-2-butan-2-ylcyclopentan-1-one
CID 89019015
2-[hydroxy(methoxy)methyl]cycloheptan-1-one
CID 123902559
(2R)-2-[(S)-hydroxy(phenyl)methyl]cycloheptan-1-one
CID 12754674
(3S)-3-[(1S)-1-hydroxypropyl]thian-4-one
CID 101351767
(2R)-2-[(S)-(4-bromophenyl)-hydroxymethyl]cyclododecan-1-one
CID 71483121
2-(4-hydroxybutan-2-yl)cycloheptan-1-one
CID 130126460
2-[1,3-diethoxy-3-(2-oxocyclohexyl)propyl]cyclohexan-1-one
CID 13445935

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-hydroxypropyl]cyclohexan-1-one?
The IUPAC name of 2-[(1S)-1-hydroxypropyl]cyclohexan-1-one (CID 10749429) is 2-[(1S)-1-hydroxypropyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(1S)-1-hydroxypropyl]cyclohexan-1-one?
The canonical SMILES for 2-[(1S)-1-hydroxypropyl]cyclohexan-1-one is CC[C@H](O)C1CCCCC1=O.
What is the InChIKey of 2-[(1S)-1-hydroxypropyl]cyclohexan-1-one?
The InChIKey is RFFJGNBKNOWRDB-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-8(10)7-5-3-4-6-9(7)11/h7-8,10H,2-6H2,1H3/t7?,8-/m0/s1.
What are the key properties of 2-[(1S)-1-hydroxypropyl]cyclohexan-1-one?
2-[(1S)-1-hydroxypropyl]cyclohexan-1-one has a molecular weight of 156.22 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-hydroxypropyl]cyclohexan-1-one is sourced from PubChem (CID 10749429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).