2-cyclohexyl-4-methoxy-2,3-dihydropyran-6-one

C12H18O3 — CID 24829159

IUPAC2-cyclohexyl-4-methoxy-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)OC(C2CCCCC2)C1
InChIInChI=1S/C12H18O3/c1-14-10-7-11(15-12(13)8-10)9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3
InChIKeyQUDVCBZSSLLDPX-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.41
Rot. Bonds2

About 2-cyclohexyl-4-methoxy-2,3-dihydropyran-6-one

2-cyclohexyl-4-methoxy-2,3-dihydropyran-6-one (PubChem CID 24829159) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-cyclohexyl-4-methoxy-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-cyclohexyl-4-methoxy-2,3-dihydropyran-6-one
PubChem CID24829159
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-cyclohexyl-4-methoxy-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)OC(C2CCCCC2)C1
InChIInChI=1S/C12H18O3/c1-14-10-7-11(15-12(13)8-10)9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3
InChIKeyQUDVCBZSSLLDPX-UHFFFAOYSA-N
XLogP2.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexyl-4-methoxy-2,3-dihydropyran-6-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 2-cyclohexyl-4-methoxy-2,3-dihydropyran-6-one?
The IUPAC name of 2-cyclohexyl-4-methoxy-2,3-dihydropyran-6-one (CID 24829159) is 2-cyclohexyl-4-methoxy-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-cyclohexyl-4-methoxy-2,3-dihydropyran-6-one?
The canonical SMILES for 2-cyclohexyl-4-methoxy-2,3-dihydropyran-6-one is COC1=CC(=O)OC(C2CCCCC2)C1.
What is the InChIKey of 2-cyclohexyl-4-methoxy-2,3-dihydropyran-6-one?
The InChIKey is QUDVCBZSSLLDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-14-10-7-11(15-12(13)8-10)9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-cyclohexyl-4-methoxy-2,3-dihydropyran-6-one?
2-cyclohexyl-4-methoxy-2,3-dihydropyran-6-one has a molecular weight of 210.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-methoxy-2,3-dihydropyran-6-one is sourced from PubChem (CID 24829159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).