2-(1-hydroxyethyl)-4-methylcyclohexan-1-one

C9H16O2 — CID 23443048

IUPAC2-(1-hydroxyethyl)-4-methylcyclohexan-1-one
SMILESCC1CCC(=O)C(C(C)O)C1
InChIInChI=1S/C9H16O2/c1-6-3-4-9(11)8(5-6)7(2)10/h6-8,10H,3-5H2,1-2H3
InChIKeyHQNSSBTWOBNQBW-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.37
Rot. Bonds1

About 2-(1-hydroxyethyl)-4-methylcyclohexan-1-one

2-(1-hydroxyethyl)-4-methylcyclohexan-1-one (PubChem CID 23443048) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-4-methylcyclohexan-1-one
PubChem CID23443048
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(1-hydroxyethyl)-4-methylcyclohexan-1-one
SMILESCC1CCC(=O)C(C(C)O)C1
InChIInChI=1S/C9H16O2/c1-6-3-4-9(11)8(5-6)7(2)10/h6-8,10H,3-5H2,1-2H3
InChIKeyHQNSSBTWOBNQBW-UHFFFAOYSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-4-methylcyclohexan-1-one?
The IUPAC name of 2-(1-hydroxyethyl)-4-methylcyclohexan-1-one (CID 23443048) is 2-(1-hydroxyethyl)-4-methylcyclohexan-1-one.
What is the SMILES notation for 2-(1-hydroxyethyl)-4-methylcyclohexan-1-one?
The canonical SMILES for 2-(1-hydroxyethyl)-4-methylcyclohexan-1-one is CC1CCC(=O)C(C(C)O)C1.
What is the InChIKey of 2-(1-hydroxyethyl)-4-methylcyclohexan-1-one?
The InChIKey is HQNSSBTWOBNQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-6-3-4-9(11)8(5-6)7(2)10/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 2-(1-hydroxyethyl)-4-methylcyclohexan-1-one?
2-(1-hydroxyethyl)-4-methylcyclohexan-1-one has a molecular weight of 156.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-4-methylcyclohexan-1-one is sourced from PubChem (CID 23443048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).