3,6,9-trimethyl-3a,4,5,6,6a,7,8,9,9a,9b-decahydro-3H-azuleno[4,5-b]furan-2-one

C15H24O2 — CID 5316109

IUPAC3,6,9-trimethyl-3a,4,5,6,6a,7,8,9,9a,9b-decahydro-3H-azuleno[4,5-b]furan-2-one
SMILESCC1CCC2C(C)C(=O)OC2C2C(C)CCC12
InChIInChI=1S/C15H24O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h8-14H,4-7H2,1-3H3
InChIKeyIICZMVCRWGAHJB-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.26
Rot. Bonds

About 3,6,9-trimethyl-3a,4,5,6,6a,7,8,9,9a,9b-decahydro-3H-azuleno[4,5-b]furan-2-one

3,6,9-trimethyl-3a,4,5,6,6a,7,8,9,9a,9b-decahydro-3H-azuleno[4,5-b]furan-2-one (PubChem CID 5316109) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3,6,9-trimethyl-3a,4,5,6,6a,7,8,9,9a,9b-decahydro-3H-azuleno[4,5-b]furan-2-one.

Molecular Properties

Compound Name3,6,9-trimethyl-3a,4,5,6,6a,7,8,9,9a,9b-decahydro-3H-azuleno[4,5-b]furan-2-one
PubChem CID5316109
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3,6,9-trimethyl-3a,4,5,6,6a,7,8,9,9a,9b-decahydro-3H-azuleno[4,5-b]furan-2-one
SMILESCC1CCC2C(C)C(=O)OC2C2C(C)CCC12
InChIInChI=1S/C15H24O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h8-14H,4-7H2,1-3H3
InChIKeyIICZMVCRWGAHJB-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,6,9-trimethyl-3a,4,5,6,6a,7,8,9,9a,9b-decahydro-3H-azuleno[4,5-b]furan-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 3,6,9-trimethyl-3a,4,5,6,6a,7,8,9,9a,9b-decahydro-3H-azuleno[4,5-b]furan-2-one?
The IUPAC name of 3,6,9-trimethyl-3a,4,5,6,6a,7,8,9,9a,9b-decahydro-3H-azuleno[4,5-b]furan-2-one (CID 5316109) is 3,6,9-trimethyl-3a,4,5,6,6a,7,8,9,9a,9b-decahydro-3H-azuleno[4,5-b]furan-2-one.
What is the SMILES notation for 3,6,9-trimethyl-3a,4,5,6,6a,7,8,9,9a,9b-decahydro-3H-azuleno[4,5-b]furan-2-one?
The canonical SMILES for 3,6,9-trimethyl-3a,4,5,6,6a,7,8,9,9a,9b-decahydro-3H-azuleno[4,5-b]furan-2-one is CC1CCC2C(C)C(=O)OC2C2C(C)CCC12.
What is the InChIKey of 3,6,9-trimethyl-3a,4,5,6,6a,7,8,9,9a,9b-decahydro-3H-azuleno[4,5-b]furan-2-one?
The InChIKey is IICZMVCRWGAHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h8-14H,4-7H2,1-3H3.
What are the key properties of 3,6,9-trimethyl-3a,4,5,6,6a,7,8,9,9a,9b-decahydro-3H-azuleno[4,5-b]furan-2-one?
3,6,9-trimethyl-3a,4,5,6,6a,7,8,9,9a,9b-decahydro-3H-azuleno[4,5-b]furan-2-one has a molecular weight of 236.35 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,9-trimethyl-3a,4,5,6,6a,7,8,9,9a,9b-decahydro-3H-azuleno[4,5-b]furan-2-one is sourced from PubChem (CID 5316109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).