1-[2-(1-hydroxyethenyl)cyclohexen-1-yl]ethanone

C10H14O2 — CID 168967443

IUPAC1-[2-(1-hydroxyethenyl)cyclohexen-1-yl]ethanone
SMILESC=C(O)C1=C(C(C)=O)CCCC1
InChIInChI=1S/C10H14O2/c1-7(11)9-5-3-4-6-10(9)8(2)12/h11H,1,3-6H2,2H3
InChIKeyLYQUQGPOWOTLRS-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.52
Rot. Bonds2

About 1-[2-(1-hydroxyethenyl)cyclohexen-1-yl]ethanone

1-[2-(1-hydroxyethenyl)cyclohexen-1-yl]ethanone (PubChem CID 168967443) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-[2-(1-hydroxyethenyl)cyclohexen-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-hydroxyethenyl)cyclohexen-1-yl]ethanone
PubChem CID168967443
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-[2-(1-hydroxyethenyl)cyclohexen-1-yl]ethanone
SMILESC=C(O)C1=C(C(C)=O)CCCC1
InChIInChI=1S/C10H14O2/c1-7(11)9-5-3-4-6-10(9)8(2)12/h11H,1,3-6H2,2H3
InChIKeyLYQUQGPOWOTLRS-UHFFFAOYSA-N
XLogP2.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.52
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 1-[2-(1-hydroxyethenyl)cyclohexen-1-yl]ethanone?
The IUPAC name of 1-[2-(1-hydroxyethenyl)cyclohexen-1-yl]ethanone (CID 168967443) is 1-[2-(1-hydroxyethenyl)cyclohexen-1-yl]ethanone.
What is the SMILES notation for 1-[2-(1-hydroxyethenyl)cyclohexen-1-yl]ethanone?
The canonical SMILES for 1-[2-(1-hydroxyethenyl)cyclohexen-1-yl]ethanone is C=C(O)C1=C(C(C)=O)CCCC1.
What is the InChIKey of 1-[2-(1-hydroxyethenyl)cyclohexen-1-yl]ethanone?
The InChIKey is LYQUQGPOWOTLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7(11)9-5-3-4-6-10(9)8(2)12/h11H,1,3-6H2,2H3.
What are the key properties of 1-[2-(1-hydroxyethenyl)cyclohexen-1-yl]ethanone?
1-[2-(1-hydroxyethenyl)cyclohexen-1-yl]ethanone has a molecular weight of 166.22 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxyethenyl)cyclohexen-1-yl]ethanone is sourced from PubChem (CID 168967443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).