2-(4-hydroxyoxolan-3-yl)cyclohexan-1-one

C10H16O3 — CID 130502891

IUPAC2-(4-hydroxyoxolan-3-yl)cyclohexan-1-one
SMILESO=C1CCCCC1C1COCC1O
InChIInChI=1S/C10H16O3/c11-9-4-2-1-3-7(9)8-5-13-6-10(8)12/h7-8,10,12H,1-6H2
InChIKeyOTARNNBXJVXYQG-UHFFFAOYSA-N
MW184.23 g/mol
LogP0.75
Rot. Bonds1

About 2-(4-hydroxyoxolan-3-yl)cyclohexan-1-one

2-(4-hydroxyoxolan-3-yl)cyclohexan-1-one (PubChem CID 130502891) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-(4-hydroxyoxolan-3-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(4-hydroxyoxolan-3-yl)cyclohexan-1-one
PubChem CID130502891
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-(4-hydroxyoxolan-3-yl)cyclohexan-1-one
SMILESO=C1CCCCC1C1COCC1O
InChIInChI=1S/C10H16O3/c11-9-4-2-1-3-7(9)8-5-13-6-10(8)12/h7-8,10,12H,1-6H2
InChIKeyOTARNNBXJVXYQG-UHFFFAOYSA-N
XLogP0.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyoxolan-3-yl)cyclohexan-1-one?
The IUPAC name of 2-(4-hydroxyoxolan-3-yl)cyclohexan-1-one (CID 130502891) is 2-(4-hydroxyoxolan-3-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(4-hydroxyoxolan-3-yl)cyclohexan-1-one?
The canonical SMILES for 2-(4-hydroxyoxolan-3-yl)cyclohexan-1-one is O=C1CCCCC1C1COCC1O.
What is the InChIKey of 2-(4-hydroxyoxolan-3-yl)cyclohexan-1-one?
The InChIKey is OTARNNBXJVXYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-9-4-2-1-3-7(9)8-5-13-6-10(8)12/h7-8,10,12H,1-6H2.
What are the key properties of 2-(4-hydroxyoxolan-3-yl)cyclohexan-1-one?
2-(4-hydroxyoxolan-3-yl)cyclohexan-1-one has a molecular weight of 184.23 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyoxolan-3-yl)cyclohexan-1-one is sourced from PubChem (CID 130502891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).