(3S)-3-hydroxy-2,2-dimethylcyclohexan-1-one

C8H14O2 — CID 11018979

IUPAC(3S)-3-hydroxy-2,2-dimethylcyclohexan-1-one
SMILESCC1(C)C(=O)CCC[C@@H]1O
InChIInChI=1S/C8H14O2/c1-8(2)6(9)4-3-5-7(8)10/h6,9H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyMAGFJLNBFXFQGX-LURJTMIESA-N
MW142.20 g/mol
LogP1.13
Rot. Bonds

About (3S)-3-hydroxy-2,2-dimethylcyclohexan-1-one

(3S)-3-hydroxy-2,2-dimethylcyclohexan-1-one (PubChem CID 11018979) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (3S)-3-hydroxy-2,2-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-2,2-dimethylcyclohexan-1-one
PubChem CID11018979
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(3S)-3-hydroxy-2,2-dimethylcyclohexan-1-one
SMILESCC1(C)C(=O)CCC[C@@H]1O
InChIInChI=1S/C8H14O2/c1-8(2)6(9)4-3-5-7(8)10/h6,9H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyMAGFJLNBFXFQGX-LURJTMIESA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxy-4,4-dimethylcyclohexan-1-one
CID 15706973
3-Hydroxy-2-methylcyclohexan-1-one
CID 58085536
2-Hydroxymethyl-2-methylcyclohexanone
CID 11355532
6-Hydroxyspiro[4.5]decan-8-one
CID 137949346
(5S,6R)-5-hydroxyspiro[5.6]dodecan-12-one
CID 25240702
(5S)-5-hydroxyspiro[5.6]dodecan-12-one
CID 134922489
(11S)-11-hydroxyspiro[5.5]undecan-5-one
CID 134987348
(5S)-5-hydroxyspiro[5.7]tridecan-13-one
CID 134987879
4-Hydroxy-3,3-pentamethylenebutan-2-one
CID 12893810
1-(2-Hydroxycyclohexyl)ethan-1-one
CID 13215571
3-Hydroxy-2,2-dimethylcyclohexan-1-one
CID 13497547
3-Hydroxy-2,2,6-trimethylcyclohexanone
CID 18752344

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-2,2-dimethylcyclohexan-1-one?
The IUPAC name of (3S)-3-hydroxy-2,2-dimethylcyclohexan-1-one (CID 11018979) is (3S)-3-hydroxy-2,2-dimethylcyclohexan-1-one.
What is the SMILES notation for (3S)-3-hydroxy-2,2-dimethylcyclohexan-1-one?
The canonical SMILES for (3S)-3-hydroxy-2,2-dimethylcyclohexan-1-one is CC1(C)C(=O)CCC[C@@H]1O.
What is the InChIKey of (3S)-3-hydroxy-2,2-dimethylcyclohexan-1-one?
The InChIKey is MAGFJLNBFXFQGX-LURJTMIESA-N. The full InChI is InChI=1S/C8H14O2/c1-8(2)6(9)4-3-5-7(8)10/h6,9H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (3S)-3-hydroxy-2,2-dimethylcyclohexan-1-one?
(3S)-3-hydroxy-2,2-dimethylcyclohexan-1-one has a molecular weight of 142.20 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-2,2-dimethylcyclohexan-1-one is sourced from PubChem (CID 11018979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).