3-ethenyl-3-hydroxy-2-methylcyclohexan-1-one

C9H14O2 — CID 155931588

IUPAC3-ethenyl-3-hydroxy-2-methylcyclohexan-1-one
SMILESC=CC1(O)CCCC(=O)C1C
InChIInChI=1S/C9H14O2/c1-3-9(11)6-4-5-8(10)7(9)2/h3,7,11H,1,4-6H2,2H3
InChIKeyHFBNEAOSPRHYFU-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.29
Rot. Bonds1

About 3-ethenyl-3-hydroxy-2-methylcyclohexan-1-one

3-ethenyl-3-hydroxy-2-methylcyclohexan-1-one (PubChem CID 155931588) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-ethenyl-3-hydroxy-2-methylcyclohexan-1-one.

Molecular Properties

Compound Name3-ethenyl-3-hydroxy-2-methylcyclohexan-1-one
PubChem CID155931588
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3-ethenyl-3-hydroxy-2-methylcyclohexan-1-one
SMILESC=CC1(O)CCCC(=O)C1C
InChIInChI=1S/C9H14O2/c1-3-9(11)6-4-5-8(10)7(9)2/h3,7,11H,1,4-6H2,2H3
InChIKeyHFBNEAOSPRHYFU-UHFFFAOYSA-N
XLogP1.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.29
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

4-(2-Ethenyl-2-hydroperoxycyclohexyl)butan-2-one
CID 13428072
(4R)-4-hydroxy-5-(3-hydroxy-3-methylbut-1-enyl)-4-methylcyclohexane-1,2-dione
CID 91330760
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-prop-2-enylcyclohexan-1-one
CID 155931589
3-Ethenyl-3-hydroxycyclohexan-1-one
CID 155931885
3-Ethenyl-3-hydroxy-2,2-dimethylcyclohexan-1-one
CID 155932976
3-Ethenyl-3-hydroxy-4-methylcyclohexan-1-one
CID 13023901
5-Ethenyl-5-hydroxy-2,3,4-trimethylcyclohexan-1-one
CID 60023593
3-Hydroxy-5-pentyl-3-propa-1,2-dienylcyclohexan-1-one
CID 174943772
1-[(1R,2S)-2-ethenyl-2-hydroxycyclohexyl]heptan-3-one
CID 15858144

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3-hydroxy-2-methylcyclohexan-1-one?
The IUPAC name of 3-ethenyl-3-hydroxy-2-methylcyclohexan-1-one (CID 155931588) is 3-ethenyl-3-hydroxy-2-methylcyclohexan-1-one.
What is the SMILES notation for 3-ethenyl-3-hydroxy-2-methylcyclohexan-1-one?
The canonical SMILES for 3-ethenyl-3-hydroxy-2-methylcyclohexan-1-one is C=CC1(O)CCCC(=O)C1C.
What is the InChIKey of 3-ethenyl-3-hydroxy-2-methylcyclohexan-1-one?
The InChIKey is HFBNEAOSPRHYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-9(11)6-4-5-8(10)7(9)2/h3,7,11H,1,4-6H2,2H3.
What are the key properties of 3-ethenyl-3-hydroxy-2-methylcyclohexan-1-one?
3-ethenyl-3-hydroxy-2-methylcyclohexan-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.29, 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-methylcyclohexan-1-one is sourced from PubChem (CID 155931588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).