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

C14H19ClO2 — CID 10729666

IUPAC6-chloro-3-(3-cyclohexylpropyl)pyran-2-one
SMILESO=c1oc(Cl)ccc1CCCC1CCCCC1
InChIInChI=1S/C14H19ClO2/c15-13-10-9-12(14(16)17-13)8-4-7-11-5-2-1-3-6-11/h9-11H,1-8H2
InChIKeyKIDVWGSJRZRWEU-UHFFFAOYSA-N
MW254.76 g/mol
LogP4.20
Rot. Bonds4

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

6-chloro-3-(3-cyclohexylpropyl)pyran-2-one (PubChem CID 10729666) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 6-chloro-3-(3-cyclohexylpropyl)pyran-2-one.

Molecular Properties

Compound Name6-chloro-3-(3-cyclohexylpropyl)pyran-2-one
PubChem CID10729666
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name6-chloro-3-(3-cyclohexylpropyl)pyran-2-one
SMILESO=c1oc(Cl)ccc1CCCC1CCCCC1
InChIInChI=1S/C14H19ClO2/c15-13-10-9-12(14(16)17-13)8-4-7-11-5-2-1-3-6-11/h9-11H,1-8H2
InChIKeyKIDVWGSJRZRWEU-UHFFFAOYSA-N
XLogP4.20
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-cyclohexylpropyl)pyran-2-one?
The IUPAC name of 6-chloro-3-(3-cyclohexylpropyl)pyran-2-one (CID 10729666) is 6-chloro-3-(3-cyclohexylpropyl)pyran-2-one.
What is the SMILES notation for 6-chloro-3-(3-cyclohexylpropyl)pyran-2-one?
The canonical SMILES for 6-chloro-3-(3-cyclohexylpropyl)pyran-2-one is O=c1oc(Cl)ccc1CCCC1CCCCC1.
What is the InChIKey of 6-chloro-3-(3-cyclohexylpropyl)pyran-2-one?
The InChIKey is KIDVWGSJRZRWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c15-13-10-9-12(14(16)17-13)8-4-7-11-5-2-1-3-6-11/h9-11H,1-8H2.
What are the key properties of 6-chloro-3-(3-cyclohexylpropyl)pyran-2-one?
6-chloro-3-(3-cyclohexylpropyl)pyran-2-one has a molecular weight of 254.76 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-cyclohexylpropyl)pyran-2-one is sourced from PubChem (CID 10729666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).