(2R,3S,6S)-2-(hydroxymethyl)-6-methyl-3-propan-2-ylcyclohexan-1-one

C11H20O2 — CID 7054201

IUPAC(2R,3S,6S)-2-(hydroxymethyl)-6-methyl-3-propan-2-ylcyclohexan-1-one
SMILESCC(C)[C@@H]1CC[C@H](C)C(=O)[C@H]1CO
InChIInChI=1S/C11H20O2/c1-7(2)9-5-4-8(3)11(13)10(9)6-12/h7-10,12H,4-6H2,1-3H3/t8-,9-,10-/m0/s1
InChIKeyMFHVVWVAUGQUJJ-GUBZILKMSA-N
MW184.28 g/mol
LogP1.87
Rot. Bonds2

About (2R,3S,6S)-2-(hydroxymethyl)-6-methyl-3-propan-2-ylcyclohexan-1-one

(2R,3S,6S)-2-(hydroxymethyl)-6-methyl-3-propan-2-ylcyclohexan-1-one (PubChem CID 7054201) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (2R,3S,6S)-2-(hydroxymethyl)-6-methyl-3-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name(2R,3S,6S)-2-(hydroxymethyl)-6-methyl-3-propan-2-ylcyclohexan-1-one
PubChem CID7054201
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(2R,3S,6S)-2-(hydroxymethyl)-6-methyl-3-propan-2-ylcyclohexan-1-one
SMILESCC(C)[C@@H]1CC[C@H](C)C(=O)[C@H]1CO
InChIInChI=1S/C11H20O2/c1-7(2)9-5-4-8(3)11(13)10(9)6-12/h7-10,12H,4-6H2,1-3H3/t8-,9-,10-/m0/s1
InChIKeyMFHVVWVAUGQUJJ-GUBZILKMSA-N
XLogP1.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,3S,6S)-2-(hydroxymethyl)-6-methyl-3-propan-2-ylcyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butyl-6-methyl-3-propan-2-ylcyclohexan-1-one
CID 12627284
2-(hydroxymethyl)-6-methyl-4-propan-2-ylcyclohexan-1-one
CID 23443017
(4S,5R)-5-(hydroxymethyl)-4-propan-2-ylpyrrolidin-2-one
CID 176971027
3-(hydroxymethyl)-1,2,5-trimethylpiperidin-4-one
CID 130026721
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 14166067
2-cyclopropylidene-3-methyl-6-propan-2-ylcyclohexan-1-ol
CID 174748949
trans-(2S,6S)-2-(hydroxymethyl)-4,6-dimethylcyclohexan-1-one
CID 67149597
2,5-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-indene-1,4-dione
CID 71328693
2,6-bis(5-methyl-2-propan-2-ylcyclohexyl)heptan-4-one
CID 21245671
2-(2-methyl-5-propan-2-ylcyclopentyl)acetic acid
CID 121221263
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
[(1R,4R,5R,6R,8S)-8-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-6-bicyclo[3.2.1]octanyl]methanol
CID 134715067

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-2-(hydroxymethyl)-6-methyl-3-propan-2-ylcyclohexan-1-one?
The IUPAC name of (2R,3S,6S)-2-(hydroxymethyl)-6-methyl-3-propan-2-ylcyclohexan-1-one (CID 7054201) is (2R,3S,6S)-2-(hydroxymethyl)-6-methyl-3-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for (2R,3S,6S)-2-(hydroxymethyl)-6-methyl-3-propan-2-ylcyclohexan-1-one?
The canonical SMILES for (2R,3S,6S)-2-(hydroxymethyl)-6-methyl-3-propan-2-ylcyclohexan-1-one is CC(C)[C@@H]1CC[C@H](C)C(=O)[C@H]1CO.
What is the InChIKey of (2R,3S,6S)-2-(hydroxymethyl)-6-methyl-3-propan-2-ylcyclohexan-1-one?
The InChIKey is MFHVVWVAUGQUJJ-GUBZILKMSA-N. The full InChI is InChI=1S/C11H20O2/c1-7(2)9-5-4-8(3)11(13)10(9)6-12/h7-10,12H,4-6H2,1-3H3/t8-,9-,10-/m0/s1.
What are the key properties of (2R,3S,6S)-2-(hydroxymethyl)-6-methyl-3-propan-2-ylcyclohexan-1-one?
(2R,3S,6S)-2-(hydroxymethyl)-6-methyl-3-propan-2-ylcyclohexan-1-one has a molecular weight of 184.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-2-(hydroxymethyl)-6-methyl-3-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 7054201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).