1-cyclohexylethanone

C8H14O — CID 13207

IUPAC1-cyclohexylethanone
SMILESCC(=O)C1CCCCC1
InChIInChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChIKeyRIFKADJTWUGDOV-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.16
Rot. Bonds1

About 1-cyclohexylethanone

1-cyclohexylethanone (PubChem CID 13207) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-cyclohexylethanone.

Molecular Properties

Compound Name1-cyclohexylethanone
PubChem CID13207
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-cyclohexylethanone
SMILESCC(=O)C1CCCCC1
InChIInChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChIKeyRIFKADJTWUGDOV-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylethanone?
The IUPAC name of 1-cyclohexylethanone (CID 13207) is 1-cyclohexylethanone.
What is the SMILES notation for 1-cyclohexylethanone?
The canonical SMILES for 1-cyclohexylethanone is CC(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexylethanone?
The InChIKey is RIFKADJTWUGDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h8H,2-6H2,1H3.
What are the key properties of 1-cyclohexylethanone?
1-cyclohexylethanone has a molecular weight of 126.20 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylethanone is sourced from PubChem (CID 13207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).