(2R)-2-cyclohexyloxepan-4-one

C12H20O2 — CID 11424138

IUPAC(2R)-2-cyclohexyloxepan-4-one
SMILESO=C1CCCO[C@@H](C2CCCCC2)C1
InChIInChI=1S/C12H20O2/c13-11-7-4-8-14-12(9-11)10-5-2-1-3-6-10/h10,12H,1-9H2/t12-/m1/s1
InChIKeyUAYCQLFCPHDHOE-GFCCVEGCSA-N
MW196.29 g/mol
LogP2.70
Rot. Bonds1

About (2R)-2-cyclohexyloxepan-4-one

(2R)-2-cyclohexyloxepan-4-one (PubChem CID 11424138) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (2R)-2-cyclohexyloxepan-4-one.

Molecular Properties

Compound Name(2R)-2-cyclohexyloxepan-4-one
PubChem CID11424138
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(2R)-2-cyclohexyloxepan-4-one
SMILESO=C1CCCO[C@@H](C2CCCCC2)C1
InChIInChI=1S/C12H20O2/c13-11-7-4-8-14-12(9-11)10-5-2-1-3-6-10/h10,12H,1-9H2/t12-/m1/s1
InChIKeyUAYCQLFCPHDHOE-GFCCVEGCSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-2-cyclohexyloxepan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyloxepan-4-one?
The IUPAC name of (2R)-2-cyclohexyloxepan-4-one (CID 11424138) is (2R)-2-cyclohexyloxepan-4-one.
What is the SMILES notation for (2R)-2-cyclohexyloxepan-4-one?
The canonical SMILES for (2R)-2-cyclohexyloxepan-4-one is O=C1CCCO[C@@H](C2CCCCC2)C1.
What is the InChIKey of (2R)-2-cyclohexyloxepan-4-one?
The InChIKey is UAYCQLFCPHDHOE-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20O2/c13-11-7-4-8-14-12(9-11)10-5-2-1-3-6-10/h10,12H,1-9H2/t12-/m1/s1.
What are the key properties of (2R)-2-cyclohexyloxepan-4-one?
(2R)-2-cyclohexyloxepan-4-one has a molecular weight of 196.29 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyloxepan-4-one is sourced from PubChem (CID 11424138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).