1-(cyclohexen-1-yl)ethanone

C8H12O — CID 13612

IUPAC1-(cyclohexen-1-yl)ethanone
SMILESCC(=O)C1=CCCCC1
InChIInChI=1S/C8H12O/c1-7(9)8-5-3-2-4-6-8/h5H,2-4,6H2,1H3
InChIKeyLTYLUDGDHUEBGX-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.08
Rot. Bonds1

About 1-(cyclohexen-1-yl)ethanone

1-(cyclohexen-1-yl)ethanone (PubChem CID 13612) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)ethanone.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)ethanone
PubChem CID13612
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name1-(cyclohexen-1-yl)ethanone
SMILESCC(=O)C1=CCCCC1
InChIInChI=1S/C8H12O/c1-7(9)8-5-3-2-4-6-8/h5H,2-4,6H2,1H3
InChIKeyLTYLUDGDHUEBGX-UHFFFAOYSA-N
XLogP2.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)ethanone?
The IUPAC name of 1-(cyclohexen-1-yl)ethanone (CID 13612) is 1-(cyclohexen-1-yl)ethanone.
What is the SMILES notation for 1-(cyclohexen-1-yl)ethanone?
The canonical SMILES for 1-(cyclohexen-1-yl)ethanone is CC(=O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)ethanone?
The InChIKey is LTYLUDGDHUEBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-7(9)8-5-3-2-4-6-8/h5H,2-4,6H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)ethanone?
1-(cyclohexen-1-yl)ethanone has a molecular weight of 124.18 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)ethanone is sourced from PubChem (CID 13612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).