4-ethenyl-4-hydroxycyclohexan-1-one

C8H12O2 — CID 23249592

IUPAC4-ethenyl-4-hydroxycyclohexan-1-one
SMILESC=CC1(O)CCC(=O)CC1
InChIInChI=1S/C8H12O2/c1-2-8(10)5-3-7(9)4-6-8/h2,10H,1,3-6H2
InChIKeyFVLPRWMTJOCUQB-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.05
Rot. Bonds1

About 4-ethenyl-4-hydroxycyclohexan-1-one

4-ethenyl-4-hydroxycyclohexan-1-one (PubChem CID 23249592) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-ethenyl-4-hydroxycyclohexan-1-one.

Molecular Properties

Compound Name4-ethenyl-4-hydroxycyclohexan-1-one
PubChem CID23249592
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-ethenyl-4-hydroxycyclohexan-1-one
SMILESC=CC1(O)CCC(=O)CC1
InChIInChI=1S/C8H12O2/c1-2-8(10)5-3-7(9)4-6-8/h2,10H,1,3-6H2
InChIKeyFVLPRWMTJOCUQB-UHFFFAOYSA-N
XLogP1.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.05
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

CID 13397600
CID 13397600
CID 59200781
CID 59200781
CID 155931885
CID 155931885
CID 10678750
CID 10678750
CID 70063850
CID 70063850
CID 160061983
CID 160061983
CID 13397601
CID 13397601
CID 70063851
CID 70063851
CID 79191125
CID 79191125
CID 130026798
CID 130026798
CID 130030563
CID 130030563

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-4-hydroxycyclohexan-1-one?
The IUPAC name of 4-ethenyl-4-hydroxycyclohexan-1-one (CID 23249592) is 4-ethenyl-4-hydroxycyclohexan-1-one.
What is the SMILES notation for 4-ethenyl-4-hydroxycyclohexan-1-one?
The canonical SMILES for 4-ethenyl-4-hydroxycyclohexan-1-one is C=CC1(O)CCC(=O)CC1.
What is the InChIKey of 4-ethenyl-4-hydroxycyclohexan-1-one?
The InChIKey is FVLPRWMTJOCUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-8(10)5-3-7(9)4-6-8/h2,10H,1,3-6H2.
What are the key properties of 4-ethenyl-4-hydroxycyclohexan-1-one?
4-ethenyl-4-hydroxycyclohexan-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4-hydroxycyclohexan-1-one is sourced from PubChem (CID 23249592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).