5-benzhydrylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one

C20H18O2 — CID 625864

IUPAC5-benzhydrylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
SMILESO=C1OCC2CC(=C(c3ccccc3)c3ccccc3)CC12
InChIInChI=1S/C20H18O2/c21-20-18-12-16(11-17(18)13-22-20)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,17-18H,11-13H2
InChIKeyRAHSMCNZCSLYBR-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.07
Rot. Bonds2

About 5-benzhydrylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one

5-benzhydrylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one (PubChem CID 625864) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 5-benzhydrylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one.

Molecular Properties

Compound Name5-benzhydrylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
PubChem CID625864
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name5-benzhydrylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
SMILESO=C1OCC2CC(=C(c3ccccc3)c3ccccc3)CC12
InChIInChI=1S/C20H18O2/c21-20-18-12-16(11-17(18)13-22-20)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,17-18H,11-13H2
InChIKeyRAHSMCNZCSLYBR-UHFFFAOYSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-benzhydrylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-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

Frequently Asked Questions

What is the IUPAC name of 5-benzhydrylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The IUPAC name of 5-benzhydrylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one (CID 625864) is 5-benzhydrylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one.
What is the SMILES notation for 5-benzhydrylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The canonical SMILES for 5-benzhydrylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one is O=C1OCC2CC(=C(c3ccccc3)c3ccccc3)CC12.
What is the InChIKey of 5-benzhydrylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The InChIKey is RAHSMCNZCSLYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c21-20-18-12-16(11-17(18)13-22-20)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,17-18H,11-13H2.
What are the key properties of 5-benzhydrylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
5-benzhydrylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one has a molecular weight of 290.36 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzhydrylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one is sourced from PubChem (CID 625864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).