7,9a-dimethyl-6-methylidene-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one

C15H20O2 — CID 73042663

IUPAC7,9a-dimethyl-6-methylidene-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one
SMILESC=C1C(C)CCC2(C)C1CC=C1C(=O)OCC12
InChIInChI=1S/C15H20O2/c1-9-6-7-15(3)12(10(9)2)5-4-11-13(15)8-17-14(11)16/h4,9,12-13H,2,5-8H2,1,3H3
InChIKeyCQWUYORFTUWURA-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.10
Rot. Bonds

About 7,9a-dimethyl-6-methylidene-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one

7,9a-dimethyl-6-methylidene-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one (PubChem CID 73042663) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 7,9a-dimethyl-6-methylidene-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one.

Molecular Properties

Compound Name7,9a-dimethyl-6-methylidene-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one
PubChem CID73042663
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name7,9a-dimethyl-6-methylidene-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one
SMILESC=C1C(C)CCC2(C)C1CC=C1C(=O)OCC12
InChIInChI=1S/C15H20O2/c1-9-6-7-15(3)12(10(9)2)5-4-11-13(15)8-17-14(11)16/h4,9,12-13H,2,5-8H2,1,3H3
InChIKeyCQWUYORFTUWURA-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7,9a-dimethyl-6-methylidene-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9b-hydroxy-7,9a-dimethyl-6-methylidene-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one
CID 14707743
[(5aR,7S,9aS)-6,6,9a-trimethyl-3-oxo-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-7-yl] acetate
CID 162899254
(5aS,5bR,7aS,11aS,11bS,13R,13aS,13bR)-13-hydroxy-5b,8,8,11a,13a-pentamethyl-5,5a,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e][2]benzofuran-3-one
CID 163013496
(5R,5aR,7R,9aR,9bR)-5,7-dihydroxy-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one
CID 139586910
[(7R,8R,9aS)-6,6,9a-trimethyl-3-oxo-7-sulfooxy-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-8-yl] hydrogen sulfate
CID 53345736
(3aS,3bS,5aS,9aS,9bR,10R)-10-hydroxy-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10-decahydronaphtho[2,1-e][2]benzofuran-1-one
CID 162872840
[(5aS,9R,9aS,9bS)-6,6,9a-trimethyl-3-oxo-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-9-yl] (2S)-2-acetamido-3-methylbutanoate
CID 100891947
4-[[(7R,8R,9aS)-7-(3-carboxypropanoyloxy)-6,6,9a-trimethyl-3-oxo-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-8-yl]oxy]-4-oxobutanoic acid
CID 53345944
(5R,5aR,8aR,9S,9aS)-9-hydroxy-5,7,7-trimethyl-1,5,5a,6,8,8a,9,9a-octahydroazuleno[5,6-c]furan-3-one
CID 14109864
(5aS,9aS,10aR)-6,6,9a-trimethyl-5,5a,9,10a-tetrahydro-1H-furo[3,4-b][1]benzoxepin-3-one
CID 102163806
[(3aS,5aS,6S,9aS,9bS)-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-6-yl] acetate
CID 163014836
17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-4-methylidene-1,2,3,5,6,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-ol
CID 76532555

Frequently Asked Questions

What is the IUPAC name of 7,9a-dimethyl-6-methylidene-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one?
The IUPAC name of 7,9a-dimethyl-6-methylidene-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one (CID 73042663) is 7,9a-dimethyl-6-methylidene-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one.
What is the SMILES notation for 7,9a-dimethyl-6-methylidene-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one?
The canonical SMILES for 7,9a-dimethyl-6-methylidene-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one is C=C1C(C)CCC2(C)C1CC=C1C(=O)OCC12.
What is the InChIKey of 7,9a-dimethyl-6-methylidene-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one?
The InChIKey is CQWUYORFTUWURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-9-6-7-15(3)12(10(9)2)5-4-11-13(15)8-17-14(11)16/h4,9,12-13H,2,5-8H2,1,3H3.
What are the key properties of 7,9a-dimethyl-6-methylidene-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one?
7,9a-dimethyl-6-methylidene-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one has a molecular weight of 232.32 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9a-dimethyl-6-methylidene-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one is sourced from PubChem (CID 73042663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).