1-(2-acetylcyclohexen-1-yl)ethanone

C10H14O2 — CID 23514952

IUPAC1-(2-acetylcyclohexen-1-yl)ethanone
SMILESCC(=O)C1=C(C(C)=O)CCCC1
InChIInChI=1S/C10H14O2/c1-7(11)9-5-3-4-6-10(9)8(2)12/h3-6H2,1-2H3
InChIKeyQAXRTVXUEULZGY-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.04
Rot. Bonds2

About 1-(2-acetylcyclohexen-1-yl)ethanone

1-(2-acetylcyclohexen-1-yl)ethanone (PubChem CID 23514952) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(2-acetylcyclohexen-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-acetylcyclohexen-1-yl)ethanone
PubChem CID23514952
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-(2-acetylcyclohexen-1-yl)ethanone
SMILESCC(=O)C1=C(C(C)=O)CCCC1
InChIInChI=1S/C10H14O2/c1-7(11)9-5-3-4-6-10(9)8(2)12/h3-6H2,1-2H3
InChIKeyQAXRTVXUEULZGY-UHFFFAOYSA-N
XLogP2.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-acetylcyclohexen-1-yl)ethanone?
The IUPAC name of 1-(2-acetylcyclohexen-1-yl)ethanone (CID 23514952) is 1-(2-acetylcyclohexen-1-yl)ethanone.
What is the SMILES notation for 1-(2-acetylcyclohexen-1-yl)ethanone?
The canonical SMILES for 1-(2-acetylcyclohexen-1-yl)ethanone is CC(=O)C1=C(C(C)=O)CCCC1.
What is the InChIKey of 1-(2-acetylcyclohexen-1-yl)ethanone?
The InChIKey is QAXRTVXUEULZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7(11)9-5-3-4-6-10(9)8(2)12/h3-6H2,1-2H3.
What are the key properties of 1-(2-acetylcyclohexen-1-yl)ethanone?
1-(2-acetylcyclohexen-1-yl)ethanone has a molecular weight of 166.22 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetylcyclohexen-1-yl)ethanone is sourced from PubChem (CID 23514952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).