(3S)-3-hydroxycyclohexan-1-one

C6H10O2 — CID 643111

IUPAC(3S)-3-hydroxycyclohexan-1-one
SMILESO=C1CCC[C@H](O)C1
InChIInChI=1S/C6H10O2/c7-5-2-1-3-6(8)4-5/h5,7H,1-4H2/t5-/m0/s1
InChIKeyTWEVQGUWCLBRMJ-YFKPBYRVSA-N
MW114.14 g/mol
LogP0.49
Rot. Bonds

About (3S)-3-hydroxycyclohexan-1-one

(3S)-3-hydroxycyclohexan-1-one (PubChem CID 643111) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (3S)-3-hydroxycyclohexan-1-one.

Molecular Properties

Compound Name(3S)-3-hydroxycyclohexan-1-one
PubChem CID643111
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(3S)-3-hydroxycyclohexan-1-one
SMILESO=C1CCC[C@H](O)C1
InChIInChI=1S/C6H10O2/c7-5-2-1-3-6(8)4-5/h5,7H,1-4H2/t5-/m0/s1
InChIKeyTWEVQGUWCLBRMJ-YFKPBYRVSA-N
XLogP0.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanone, 2-hydroxy-
CID 10785
4-Hydroxycyclohexanone
CID 543706
3-Methoxycyclohexan-1-one
CID 534824
3-Hydroxycyclohexanone
CID 439950
(2S)-2-Hydroxycyclohexanone
CID 10920479
(R)-2-Hydroxycyclohexanone
CID 11007860
2,3-Dihydroxycyclohexanone
CID 12518177
trans-(2S,3S)-2,3-dihydroxycyclohexan-1-one
CID 15939671
6-Hydroxyheptan-2-one
CID 23369213
cis-(2S,3R)-2,3-dihydroxycyclohexan-1-one
CID 15939672
3-Hydroperoxycyclohexanone
CID 14940323
5-Hydroxycyclohexane-1,3-dione
CID 15373771

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxycyclohexan-1-one?
The IUPAC name of (3S)-3-hydroxycyclohexan-1-one (CID 643111) is (3S)-3-hydroxycyclohexan-1-one.
What is the SMILES notation for (3S)-3-hydroxycyclohexan-1-one?
The canonical SMILES for (3S)-3-hydroxycyclohexan-1-one is O=C1CCC[C@H](O)C1.
What is the InChIKey of (3S)-3-hydroxycyclohexan-1-one?
The InChIKey is TWEVQGUWCLBRMJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10O2/c7-5-2-1-3-6(8)4-5/h5,7H,1-4H2/t5-/m0/s1.
What are the key properties of (3S)-3-hydroxycyclohexan-1-one?
(3S)-3-hydroxycyclohexan-1-one has a molecular weight of 114.14 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxycyclohexan-1-one is sourced from PubChem (CID 643111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).