4-(1-hydroxyethenyl)cyclohexan-1-one

C8H12O2 — CID 68801910

IUPAC4-(1-hydroxyethenyl)cyclohexan-1-one
SMILESC=C(O)C1CCC(=O)CC1
InChIInChI=1S/C8H12O2/c1-6(9)7-2-4-8(10)5-3-7/h7,9H,1-5H2
InChIKeyRHMSFYHFBHGAQX-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.82
Rot. Bonds1

About 4-(1-hydroxyethenyl)cyclohexan-1-one

4-(1-hydroxyethenyl)cyclohexan-1-one (PubChem CID 68801910) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-(1-hydroxyethenyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(1-hydroxyethenyl)cyclohexan-1-one
PubChem CID68801910
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-(1-hydroxyethenyl)cyclohexan-1-one
SMILESC=C(O)C1CCC(=O)CC1
InChIInChI=1S/C8H12O2/c1-6(9)7-2-4-8(10)5-3-7/h7,9H,1-5H2
InChIKeyRHMSFYHFBHGAQX-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethenyl)cyclohexan-1-one?
The IUPAC name of 4-(1-hydroxyethenyl)cyclohexan-1-one (CID 68801910) is 4-(1-hydroxyethenyl)cyclohexan-1-one.
What is the SMILES notation for 4-(1-hydroxyethenyl)cyclohexan-1-one?
The canonical SMILES for 4-(1-hydroxyethenyl)cyclohexan-1-one is C=C(O)C1CCC(=O)CC1.
What is the InChIKey of 4-(1-hydroxyethenyl)cyclohexan-1-one?
The InChIKey is RHMSFYHFBHGAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6(9)7-2-4-8(10)5-3-7/h7,9H,1-5H2.
What are the key properties of 4-(1-hydroxyethenyl)cyclohexan-1-one?
4-(1-hydroxyethenyl)cyclohexan-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethenyl)cyclohexan-1-one is sourced from PubChem (CID 68801910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).