3-ethenyl-3-hydroxy-2,2-dimethylcyclohexan-1-one

C10H16O2 — CID 155932976

IUPAC3-ethenyl-3-hydroxy-2,2-dimethylcyclohexan-1-one
SMILESC=CC1(O)CCCC(=O)C1(C)C
InChIInChI=1S/C10H16O2/c1-4-10(12)7-5-6-8(11)9(10,2)3/h4,12H,1,5-7H2,2-3H3
InChIKeyHSLYUZVDSWIOQH-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.68
Rot. Bonds1

About 3-ethenyl-3-hydroxy-2,2-dimethylcyclohexan-1-one

3-ethenyl-3-hydroxy-2,2-dimethylcyclohexan-1-one (PubChem CID 155932976) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-ethenyl-3-hydroxy-2,2-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name3-ethenyl-3-hydroxy-2,2-dimethylcyclohexan-1-one
PubChem CID155932976
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-ethenyl-3-hydroxy-2,2-dimethylcyclohexan-1-one
SMILESC=CC1(O)CCCC(=O)C1(C)C
InChIInChI=1S/C10H16O2/c1-4-10(12)7-5-6-8(11)9(10,2)3/h4,12H,1,5-7H2,2-3H3
InChIKeyHSLYUZVDSWIOQH-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-3-Hydroxy-2-allyl-2-methylcyclohexanone
CID 11008312
(2R,3S)-2-Allyl-3-hydroxy-2-methylcyclohexanone
CID 11229012
4-(2-Ethenyl-2-hydroperoxycyclohexyl)butan-2-one
CID 13428072
(3aR,7aR)-1-ethenylidene-7a-hydroxy-3a-methyl-3,5,6,7-tetrahydro-2H-inden-4-one
CID 15276081
(3aS,7aS)-7a-hydroxy-3a-methyl-3,5,6,7-tetrahydroinden-4-one
CID 131007710
1-[(1S,2R)-3-ethenyl-2-hydroxy-1,2-dimethylcyclohexyl]ethanone
CID 134930772
10-Ethenyl-10-hydroxyspiro[4.5]decan-6-one
CID 155931172
5-Ethenyl-5-hydroxyspiro[5.5]undecan-1-one
CID 155931278
3-Hydroxy-2,2-dimethyl-3-prop-1-en-2-ylcyclohexan-1-one
CID 155931426
3-Ethenyl-3-hydroxy-2-methylcyclohexan-1-one
CID 155931588
3-Ethenyl-3-hydroxy-2-prop-2-enylcyclohexan-1-one
CID 155931589
(3aS,7aS)-5-deuterio-7a-hydroxy-3a-methyl-3,5,6,7-tetrahydroinden-4-one
CID 155931963

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3-hydroxy-2,2-dimethylcyclohexan-1-one?
The IUPAC name of 3-ethenyl-3-hydroxy-2,2-dimethylcyclohexan-1-one (CID 155932976) is 3-ethenyl-3-hydroxy-2,2-dimethylcyclohexan-1-one.
What is the SMILES notation for 3-ethenyl-3-hydroxy-2,2-dimethylcyclohexan-1-one?
The canonical SMILES for 3-ethenyl-3-hydroxy-2,2-dimethylcyclohexan-1-one is C=CC1(O)CCCC(=O)C1(C)C.
What is the InChIKey of 3-ethenyl-3-hydroxy-2,2-dimethylcyclohexan-1-one?
The InChIKey is HSLYUZVDSWIOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-10(12)7-5-6-8(11)9(10,2)3/h4,12H,1,5-7H2,2-3H3.
What are the key properties of 3-ethenyl-3-hydroxy-2,2-dimethylcyclohexan-1-one?
3-ethenyl-3-hydroxy-2,2-dimethylcyclohexan-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3-hydroxy-2,2-dimethylcyclohexan-1-one is sourced from PubChem (CID 155932976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).