8-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one

C10H16O2 — CID 565323

IUPAC8-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
SMILESCC1CCCC2CCC(=O)OC12
InChIInChI=1S/C10H16O2/c1-7-3-2-4-8-5-6-9(11)12-10(7)8/h7-8,10H,2-6H2,1H3
InChIKeyPLUKUDPETUOLLD-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.13
Rot. Bonds

About 8-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one

8-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one (PubChem CID 565323) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 8-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one.

Molecular Properties

Compound Name8-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
PubChem CID565323
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name8-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
SMILESCC1CCCC2CCC(=O)OC12
InChIInChI=1S/C10H16O2/c1-7-3-2-4-8-5-6-9(11)12-10(7)8/h7-8,10H,2-6H2,1H3
InChIKeyPLUKUDPETUOLLD-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-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 8-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one?
The IUPAC name of 8-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one (CID 565323) is 8-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one.
What is the SMILES notation for 8-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one?
The canonical SMILES for 8-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one is CC1CCCC2CCC(=O)OC12.
What is the InChIKey of 8-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one?
The InChIKey is PLUKUDPETUOLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-3-2-4-8-5-6-9(11)12-10(7)8/h7-8,10H,2-6H2,1H3.
What are the key properties of 8-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one?
8-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one is sourced from PubChem (CID 565323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).