6-chloro-3-(cyclohexylmethyl)pyran-2-one

C12H15ClO2 — CID 10823157

IUPAC6-chloro-3-(cyclohexylmethyl)pyran-2-one
SMILESO=c1oc(Cl)ccc1CC1CCCCC1
InChIInChI=1S/C12H15ClO2/c13-11-7-6-10(12(14)15-11)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
InChIKeyBOMYAGCPXBZTRL-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.42
Rot. Bonds2

About 6-chloro-3-(cyclohexylmethyl)pyran-2-one

6-chloro-3-(cyclohexylmethyl)pyran-2-one (PubChem CID 10823157) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 6-chloro-3-(cyclohexylmethyl)pyran-2-one.

Molecular Properties

Compound Name6-chloro-3-(cyclohexylmethyl)pyran-2-one
PubChem CID10823157
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name6-chloro-3-(cyclohexylmethyl)pyran-2-one
SMILESO=c1oc(Cl)ccc1CC1CCCCC1
InChIInChI=1S/C12H15ClO2/c13-11-7-6-10(12(14)15-11)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
InChIKeyBOMYAGCPXBZTRL-UHFFFAOYSA-N
XLogP3.42
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(cyclohexylmethyl)pyran-2-one?
The IUPAC name of 6-chloro-3-(cyclohexylmethyl)pyran-2-one (CID 10823157) is 6-chloro-3-(cyclohexylmethyl)pyran-2-one.
What is the SMILES notation for 6-chloro-3-(cyclohexylmethyl)pyran-2-one?
The canonical SMILES for 6-chloro-3-(cyclohexylmethyl)pyran-2-one is O=c1oc(Cl)ccc1CC1CCCCC1.
What is the InChIKey of 6-chloro-3-(cyclohexylmethyl)pyran-2-one?
The InChIKey is BOMYAGCPXBZTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c13-11-7-6-10(12(14)15-11)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2.
What are the key properties of 6-chloro-3-(cyclohexylmethyl)pyran-2-one?
6-chloro-3-(cyclohexylmethyl)pyran-2-one has a molecular weight of 226.70 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(cyclohexylmethyl)pyran-2-one is sourced from PubChem (CID 10823157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).