(4S)-6-(4-hydroxycyclohexyl)-4-methylhexan-2-one

C13H24O2 — CID 159765840

IUPAC(4S)-6-(4-hydroxycyclohexyl)-4-methylhexan-2-one
SMILESCC(=O)C[C@@H](C)CCC1CCC(O)CC1
InChIInChI=1S/C13H24O2/c1-10(9-11(2)14)3-4-12-5-7-13(15)8-6-12/h10,12-13,15H,3-9H2,1-2H3/t10-,12?,13?/m0/s1
InChIKeyGNFDRFQZIMMBGD-PKSQDBQZSA-N
MW212.33 g/mol
LogP2.93
Rot. Bonds5

About (4S)-6-(4-hydroxycyclohexyl)-4-methylhexan-2-one

(4S)-6-(4-hydroxycyclohexyl)-4-methylhexan-2-one (PubChem CID 159765840) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (4S)-6-(4-hydroxycyclohexyl)-4-methylhexan-2-one.

Molecular Properties

Compound Name(4S)-6-(4-hydroxycyclohexyl)-4-methylhexan-2-one
PubChem CID159765840
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(4S)-6-(4-hydroxycyclohexyl)-4-methylhexan-2-one
SMILESCC(=O)C[C@@H](C)CCC1CCC(O)CC1
InChIInChI=1S/C13H24O2/c1-10(9-11(2)14)3-4-12-5-7-13(15)8-6-12/h10,12-13,15H,3-9H2,1-2H3/t10-,12?,13?/m0/s1
InChIKeyGNFDRFQZIMMBGD-PKSQDBQZSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5R)-3-amino-7-cyclopropyl-5-methylheptanoic acid
CID 68857466
3-methylpentylcyclopropane
CID 56979389
4-(3-hydroxyhexyl)cyclohexan-1-ol
CID 71198089
4,7-dimethylnonan-2-one
CID 87291820
2-[4-(3-methylpentyl)cyclohexyl]acetamide
CID 118946939
4-(3-amino-2-methylpropyl)cyclohexan-1-ol
CID 174312157
3-oxo-2-[2-(4-propylcyclohexyl)ethyl]butanoic acid
CID 142651191
(2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic acid
CID 99962556
1-cyclopropyl-5-methylheptan-3-ol
CID 115810732
4-(cyclopropylmethoxy)pentan-2-one
CID 64697956
4-[4-(2-methylpropyl)cyclohexyl]butan-2-one
CID 167520283
bis[2-(4-hydroxycyclohexyl)ethyl] carbonate
CID 140760910

Frequently Asked Questions

What is the IUPAC name of (4S)-6-(4-hydroxycyclohexyl)-4-methylhexan-2-one?
The IUPAC name of (4S)-6-(4-hydroxycyclohexyl)-4-methylhexan-2-one (CID 159765840) is (4S)-6-(4-hydroxycyclohexyl)-4-methylhexan-2-one.
What is the SMILES notation for (4S)-6-(4-hydroxycyclohexyl)-4-methylhexan-2-one?
The canonical SMILES for (4S)-6-(4-hydroxycyclohexyl)-4-methylhexan-2-one is CC(=O)C[C@@H](C)CCC1CCC(O)CC1.
What is the InChIKey of (4S)-6-(4-hydroxycyclohexyl)-4-methylhexan-2-one?
The InChIKey is GNFDRFQZIMMBGD-PKSQDBQZSA-N. The full InChI is InChI=1S/C13H24O2/c1-10(9-11(2)14)3-4-12-5-7-13(15)8-6-12/h10,12-13,15H,3-9H2,1-2H3/t10-,12?,13?/m0/s1.
What are the key properties of (4S)-6-(4-hydroxycyclohexyl)-4-methylhexan-2-one?
(4S)-6-(4-hydroxycyclohexyl)-4-methylhexan-2-one has a molecular weight of 212.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-(4-hydroxycyclohexyl)-4-methylhexan-2-one is sourced from PubChem (CID 159765840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).