1-[1-(hydroxymethyl)cyclohexyl]ethanone

C9H16O2 — CID 12893810

IUPAC1-[1-(hydroxymethyl)cyclohexyl]ethanone
SMILESCC(=O)C1(CO)CCCCC1
InChIInChI=1S/C9H16O2/c1-8(11)9(7-10)5-3-2-4-6-9/h10H,2-7H2,1H3
InChIKeyFNEOYRVJVMTIEW-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.52
Rot. Bonds2

About 1-[1-(hydroxymethyl)cyclohexyl]ethanone

1-[1-(hydroxymethyl)cyclohexyl]ethanone (PubChem CID 12893810) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-[1-(hydroxymethyl)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[1-(hydroxymethyl)cyclohexyl]ethanone
PubChem CID12893810
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-[1-(hydroxymethyl)cyclohexyl]ethanone
SMILESCC(=O)C1(CO)CCCCC1
InChIInChI=1S/C9H16O2/c1-8(11)9(7-10)5-3-2-4-6-9/h10H,2-7H2,1H3
InChIKeyFNEOYRVJVMTIEW-UHFFFAOYSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(hydroxymethyl)cyclohexyl]ethanone?
The IUPAC name of 1-[1-(hydroxymethyl)cyclohexyl]ethanone (CID 12893810) is 1-[1-(hydroxymethyl)cyclohexyl]ethanone.
What is the SMILES notation for 1-[1-(hydroxymethyl)cyclohexyl]ethanone?
The canonical SMILES for 1-[1-(hydroxymethyl)cyclohexyl]ethanone is CC(=O)C1(CO)CCCCC1.
What is the InChIKey of 1-[1-(hydroxymethyl)cyclohexyl]ethanone?
The InChIKey is FNEOYRVJVMTIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(11)9(7-10)5-3-2-4-6-9/h10H,2-7H2,1H3.
What are the key properties of 1-[1-(hydroxymethyl)cyclohexyl]ethanone?
1-[1-(hydroxymethyl)cyclohexyl]ethanone has a molecular weight of 156.22 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(hydroxymethyl)cyclohexyl]ethanone is sourced from PubChem (CID 12893810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).