(5aS,9aS)-3,3,5a-trimethyl-4,6,7,8,9,9a-hexahydro-2H-dibenzofuran-1-one

C15H22O2 — CID 10466569

IUPAC(5aS,9aS)-3,3,5a-trimethyl-4,6,7,8,9,9a-hexahydro-2H-dibenzofuran-1-one
SMILESCC1(C)CC(=O)C2=C(C1)O[C@@]1(C)CCCC[C@@H]21
InChIInChI=1S/C15H22O2/c1-14(2)8-11(16)13-10-6-4-5-7-15(10,3)17-12(13)9-14/h10H,4-9H2,1-3H3/t10-,15-/m0/s1
InChIKeyOSDPYEGZUFGHNV-BONVTDFDSA-N
MW234.34 g/mol
LogP3.61
Rot. Bonds

About (5aS,9aS)-3,3,5a-trimethyl-4,6,7,8,9,9a-hexahydro-2H-dibenzofuran-1-one

(5aS,9aS)-3,3,5a-trimethyl-4,6,7,8,9,9a-hexahydro-2H-dibenzofuran-1-one (PubChem CID 10466569) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (5aS,9aS)-3,3,5a-trimethyl-4,6,7,8,9,9a-hexahydro-2H-dibenzofuran-1-one.

Molecular Properties

Compound Name(5aS,9aS)-3,3,5a-trimethyl-4,6,7,8,9,9a-hexahydro-2H-dibenzofuran-1-one
PubChem CID10466569
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(5aS,9aS)-3,3,5a-trimethyl-4,6,7,8,9,9a-hexahydro-2H-dibenzofuran-1-one
SMILESCC1(C)CC(=O)C2=C(C1)O[C@@]1(C)CCCC[C@@H]21
InChIInChI=1S/C15H22O2/c1-14(2)8-11(16)13-10-6-4-5-7-15(10,3)17-12(13)9-14/h10H,4-9H2,1-3H3/t10-,15-/m0/s1
InChIKeyOSDPYEGZUFGHNV-BONVTDFDSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5aS,9aS)-3,3,5a-trimethyl-4,6,7,8,9,9a-hexahydro-2H-dibenzofuran-1-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 (5aS,9aS)-3,3,5a-trimethyl-4,6,7,8,9,9a-hexahydro-2H-dibenzofuran-1-one?
The IUPAC name of (5aS,9aS)-3,3,5a-trimethyl-4,6,7,8,9,9a-hexahydro-2H-dibenzofuran-1-one (CID 10466569) is (5aS,9aS)-3,3,5a-trimethyl-4,6,7,8,9,9a-hexahydro-2H-dibenzofuran-1-one.
What is the SMILES notation for (5aS,9aS)-3,3,5a-trimethyl-4,6,7,8,9,9a-hexahydro-2H-dibenzofuran-1-one?
The canonical SMILES for (5aS,9aS)-3,3,5a-trimethyl-4,6,7,8,9,9a-hexahydro-2H-dibenzofuran-1-one is CC1(C)CC(=O)C2=C(C1)O[C@@]1(C)CCCC[C@@H]21.
What is the InChIKey of (5aS,9aS)-3,3,5a-trimethyl-4,6,7,8,9,9a-hexahydro-2H-dibenzofuran-1-one?
The InChIKey is OSDPYEGZUFGHNV-BONVTDFDSA-N. The full InChI is InChI=1S/C15H22O2/c1-14(2)8-11(16)13-10-6-4-5-7-15(10,3)17-12(13)9-14/h10H,4-9H2,1-3H3/t10-,15-/m0/s1.
What are the key properties of (5aS,9aS)-3,3,5a-trimethyl-4,6,7,8,9,9a-hexahydro-2H-dibenzofuran-1-one?
(5aS,9aS)-3,3,5a-trimethyl-4,6,7,8,9,9a-hexahydro-2H-dibenzofuran-1-one has a molecular weight of 234.34 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5aS,9aS)-3,3,5a-trimethyl-4,6,7,8,9,9a-hexahydro-2H-dibenzofuran-1-one is sourced from PubChem (CID 10466569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).