4-(2-cyclohexylethyl)-4-hydroxyoxolan-2-one

C12H20O3 — CID 10656177

IUPAC4-(2-cyclohexylethyl)-4-hydroxyoxolan-2-one
SMILESO=C1CC(O)(CCC2CCCCC2)CO1
InChIInChI=1S/C12H20O3/c13-11-8-12(14,9-15-11)7-6-10-4-2-1-3-5-10/h10,14H,1-9H2
InChIKeyRVENPNREPAUWCG-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.02
Rot. Bonds3

About 4-(2-cyclohexylethyl)-4-hydroxyoxolan-2-one

4-(2-cyclohexylethyl)-4-hydroxyoxolan-2-one (PubChem CID 10656177) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-(2-cyclohexylethyl)-4-hydroxyoxolan-2-one.

Molecular Properties

Compound Name4-(2-cyclohexylethyl)-4-hydroxyoxolan-2-one
PubChem CID10656177
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name4-(2-cyclohexylethyl)-4-hydroxyoxolan-2-one
SMILESO=C1CC(O)(CCC2CCCCC2)CO1
InChIInChI=1S/C12H20O3/c13-11-8-12(14,9-15-11)7-6-10-4-2-1-3-5-10/h10,14H,1-9H2
InChIKeyRVENPNREPAUWCG-UHFFFAOYSA-N
XLogP2.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexylethyl)-4-hydroxyoxolan-2-one?
The IUPAC name of 4-(2-cyclohexylethyl)-4-hydroxyoxolan-2-one (CID 10656177) is 4-(2-cyclohexylethyl)-4-hydroxyoxolan-2-one.
What is the SMILES notation for 4-(2-cyclohexylethyl)-4-hydroxyoxolan-2-one?
The canonical SMILES for 4-(2-cyclohexylethyl)-4-hydroxyoxolan-2-one is O=C1CC(O)(CCC2CCCCC2)CO1.
What is the InChIKey of 4-(2-cyclohexylethyl)-4-hydroxyoxolan-2-one?
The InChIKey is RVENPNREPAUWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c13-11-8-12(14,9-15-11)7-6-10-4-2-1-3-5-10/h10,14H,1-9H2.
What are the key properties of 4-(2-cyclohexylethyl)-4-hydroxyoxolan-2-one?
4-(2-cyclohexylethyl)-4-hydroxyoxolan-2-one has a molecular weight of 212.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexylethyl)-4-hydroxyoxolan-2-one is sourced from PubChem (CID 10656177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).