3-ethenyl-3-hydroxy-2-prop-2-enylcyclohexan-1-one

C11H16O2 — CID 155931589

IUPAC3-ethenyl-3-hydroxy-2-prop-2-enylcyclohexan-1-one
SMILESC=CCC1C(=O)CCCC1(O)C=C
InChIInChI=1S/C11H16O2/c1-3-6-9-10(12)7-5-8-11(9,13)4-2/h3-4,9,13H,1-2,5-8H2
InChIKeyRFXJDPKJVFLJBE-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.85
Rot. Bonds3

About 3-ethenyl-3-hydroxy-2-prop-2-enylcyclohexan-1-one

3-ethenyl-3-hydroxy-2-prop-2-enylcyclohexan-1-one (PubChem CID 155931589) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-ethenyl-3-hydroxy-2-prop-2-enylcyclohexan-1-one.

Molecular Properties

Compound Name3-ethenyl-3-hydroxy-2-prop-2-enylcyclohexan-1-one
PubChem CID155931589
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-ethenyl-3-hydroxy-2-prop-2-enylcyclohexan-1-one
SMILESC=CCC1C(=O)CCCC1(O)C=C
InChIInChI=1S/C11H16O2/c1-3-6-9-10(12)7-5-8-11(9,13)4-2/h3-4,9,13H,1-2,5-8H2
InChIKeyRFXJDPKJVFLJBE-UHFFFAOYSA-N
XLogP1.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.85
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

(1S,5Z,11R)-11-hydroxybicyclo[9.4.0]pentadec-5-en-2-one
CID 11817223
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
1-(2-Hydroxy-2-prop-2-enylcyclohexyl)-2-methylprop-2-en-1-one
CID 138975442
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-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
3-Allyl-3-hydroxy-cyclohexanone
CID 10654447

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3-hydroxy-2-prop-2-enylcyclohexan-1-one?
The IUPAC name of 3-ethenyl-3-hydroxy-2-prop-2-enylcyclohexan-1-one (CID 155931589) is 3-ethenyl-3-hydroxy-2-prop-2-enylcyclohexan-1-one.
What is the SMILES notation for 3-ethenyl-3-hydroxy-2-prop-2-enylcyclohexan-1-one?
The canonical SMILES for 3-ethenyl-3-hydroxy-2-prop-2-enylcyclohexan-1-one is C=CCC1C(=O)CCCC1(O)C=C.
What is the InChIKey of 3-ethenyl-3-hydroxy-2-prop-2-enylcyclohexan-1-one?
The InChIKey is RFXJDPKJVFLJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-6-9-10(12)7-5-8-11(9,13)4-2/h3-4,9,13H,1-2,5-8H2.
What are the key properties of 3-ethenyl-3-hydroxy-2-prop-2-enylcyclohexan-1-one?
3-ethenyl-3-hydroxy-2-prop-2-enylcyclohexan-1-one has a molecular weight of 180.25 g/mol, XLogP of 1.85, 3 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-prop-2-enylcyclohexan-1-one is sourced from PubChem (CID 155931589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).