(3aS,3bR,4R,6aS)-3a,5,5-trimethyl-4-trimethylsilyloxy-3,3b,4,6,6a,7-hexahydrocyclopenta[a]pentalen-2-one

C17H28O2Si — CID 10541710

IUPAC(3aS,3bR,4R,6aS)-3a,5,5-trimethyl-4-trimethylsilyloxy-3,3b,4,6,6a,7-hexahydrocyclopenta[a]pentalen-2-one
SMILESCC1(C)C[C@@H]2CC3=CC(=O)C[C@@]3(C)[C@@H]2[C@H]1O[Si](C)(C)C
InChIInChI=1S/C17H28O2Si/c1-16(2)9-11-7-12-8-13(18)10-17(12,3)14(11)15(16)19-20(4,5)6/h8,11,14-15H,7,9-10H2,1-6H3/t11-,14-,15+,17+/m0/s1
InChIKeyFAFXGXXIRRMCEU-ZYIUAKIQSA-N
MW292.50 g/mol
LogP4.18
Rot. Bonds2

About (3aS,3bR,4R,6aS)-3a,5,5-trimethyl-4-trimethylsilyloxy-3,3b,4,6,6a,7-hexahydrocyclopenta[a]pentalen-2-one

(3aS,3bR,4R,6aS)-3a,5,5-trimethyl-4-trimethylsilyloxy-3,3b,4,6,6a,7-hexahydrocyclopenta[a]pentalen-2-one (PubChem CID 10541710) has the molecular formula C17H28O2Si and a molecular weight of 292.50 g/mol. Its IUPAC name is (3aS,3bR,4R,6aS)-3a,5,5-trimethyl-4-trimethylsilyloxy-3,3b,4,6,6a,7-hexahydrocyclopenta[a]pentalen-2-one.

Molecular Properties

Compound Name(3aS,3bR,4R,6aS)-3a,5,5-trimethyl-4-trimethylsilyloxy-3,3b,4,6,6a,7-hexahydrocyclopenta[a]pentalen-2-one
PubChem CID10541710
Molecular FormulaC17H28O2Si
Molecular Weight292.50 g/mol
Exact Mass292.19
IUPAC Name(3aS,3bR,4R,6aS)-3a,5,5-trimethyl-4-trimethylsilyloxy-3,3b,4,6,6a,7-hexahydrocyclopenta[a]pentalen-2-one
SMILESCC1(C)C[C@@H]2CC3=CC(=O)C[C@@]3(C)[C@@H]2[C@H]1O[Si](C)(C)C
InChIInChI=1S/C17H28O2Si/c1-16(2)9-11-7-12-8-13(18)10-17(12,3)14(11)15(16)19-20(4,5)6/h8,11,14-15H,7,9-10H2,1-6H3/t11-,14-,15+,17+/m0/s1
InChIKeyFAFXGXXIRRMCEU-ZYIUAKIQSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3aS,3bR,4R,6aS)-3a,5,5-trimethyl-4-trimethylsilyloxy-3,3b,4,6,6a,7-hexahydrocyclopenta[a]pentalen-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 (3aS,3bR,4R,6aS)-3a,5,5-trimethyl-4-trimethylsilyloxy-3,3b,4,6,6a,7-hexahydrocyclopenta[a]pentalen-2-one?
The IUPAC name of (3aS,3bR,4R,6aS)-3a,5,5-trimethyl-4-trimethylsilyloxy-3,3b,4,6,6a,7-hexahydrocyclopenta[a]pentalen-2-one (CID 10541710) is (3aS,3bR,4R,6aS)-3a,5,5-trimethyl-4-trimethylsilyloxy-3,3b,4,6,6a,7-hexahydrocyclopenta[a]pentalen-2-one.
What is the SMILES notation for (3aS,3bR,4R,6aS)-3a,5,5-trimethyl-4-trimethylsilyloxy-3,3b,4,6,6a,7-hexahydrocyclopenta[a]pentalen-2-one?
The canonical SMILES for (3aS,3bR,4R,6aS)-3a,5,5-trimethyl-4-trimethylsilyloxy-3,3b,4,6,6a,7-hexahydrocyclopenta[a]pentalen-2-one is CC1(C)C[C@@H]2CC3=CC(=O)C[C@@]3(C)[C@@H]2[C@H]1O[Si](C)(C)C.
What is the InChIKey of (3aS,3bR,4R,6aS)-3a,5,5-trimethyl-4-trimethylsilyloxy-3,3b,4,6,6a,7-hexahydrocyclopenta[a]pentalen-2-one?
The InChIKey is FAFXGXXIRRMCEU-ZYIUAKIQSA-N. The full InChI is InChI=1S/C17H28O2Si/c1-16(2)9-11-7-12-8-13(18)10-17(12,3)14(11)15(16)19-20(4,5)6/h8,11,14-15H,7,9-10H2,1-6H3/t11-,14-,15+,17+/m0/s1.
What are the key properties of (3aS,3bR,4R,6aS)-3a,5,5-trimethyl-4-trimethylsilyloxy-3,3b,4,6,6a,7-hexahydrocyclopenta[a]pentalen-2-one?
(3aS,3bR,4R,6aS)-3a,5,5-trimethyl-4-trimethylsilyloxy-3,3b,4,6,6a,7-hexahydrocyclopenta[a]pentalen-2-one has a molecular weight of 292.50 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bR,4R,6aS)-3a,5,5-trimethyl-4-trimethylsilyloxy-3,3b,4,6,6a,7-hexahydrocyclopenta[a]pentalen-2-one is sourced from PubChem (CID 10541710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).