4-hydroxy-6,6-dimethylcyclohex-2-en-1-one

C8H12O2 — CID 558500

IUPAC4-hydroxy-6,6-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CC(O)C=CC1=O
InChIInChI=1S/C8H12O2/c1-8(2)5-6(9)3-4-7(8)10/h3-4,6,9H,5H2,1-2H3
InChIKeyXZYDXVQHNSTGAT-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.90
Rot. Bonds

About 4-hydroxy-6,6-dimethylcyclohex-2-en-1-one

4-hydroxy-6,6-dimethylcyclohex-2-en-1-one (PubChem CID 558500) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-hydroxy-6,6-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-6,6-dimethylcyclohex-2-en-1-one
PubChem CID558500
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-hydroxy-6,6-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CC(O)C=CC1=O
InChIInChI=1S/C8H12O2/c1-8(2)5-6(9)3-4-7(8)10/h3-4,6,9H,5H2,1-2H3
InChIKeyXZYDXVQHNSTGAT-UHFFFAOYSA-N
XLogP0.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Vomifoliol, (+)-
CID 5280462
4-Hydroxy-3,5,5-Trimethylcyclohex-2-Enone
CID 566734
4-Hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexen-1-one
CID 5280654
Comosone A
CID 52952530
(6S,9S)-vomifoliol
CID 10537120
(6S)-vomifoliol
CID 12444927
Ampelomin A
CID 25243398
4-Hydroxy-2-cyclohexenone
CID 558502
4-Hydroxy-2,6,6-trimethyl-2-cyclohexen-1-one
CID 89193
(4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-one
CID 10419390
(2E)-1-(3-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
CID 5366075
5-Hydroxy-p-mentha-6,8-dien-2-one
CID 14379178

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6,6-dimethylcyclohex-2-en-1-one?
The IUPAC name of 4-hydroxy-6,6-dimethylcyclohex-2-en-1-one (CID 558500) is 4-hydroxy-6,6-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 4-hydroxy-6,6-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 4-hydroxy-6,6-dimethylcyclohex-2-en-1-one is CC1(C)CC(O)C=CC1=O.
What is the InChIKey of 4-hydroxy-6,6-dimethylcyclohex-2-en-1-one?
The InChIKey is XZYDXVQHNSTGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-8(2)5-6(9)3-4-7(8)10/h3-4,6,9H,5H2,1-2H3.
What are the key properties of 4-hydroxy-6,6-dimethylcyclohex-2-en-1-one?
4-hydroxy-6,6-dimethylcyclohex-2-en-1-one has a molecular weight of 140.18 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6,6-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 558500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).