(5S,9R)-9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]non-3-en-2-one

C15H26O2Si — CID 101385413

IUPAC(5S,9R)-9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]non-3-en-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@]12C=CC(=O)C2
InChIInChI=1S/C15H26O2Si/c1-14(2,3)18(4,5)17-13-7-6-9-15(13)10-8-12(16)11-15/h8,10,13H,6-7,9,11H2,1-5H3/t13-,15-/m1/s1
InChIKeyJUHAFVDBAPKEJO-UKRRQHHQSA-N
MW266.46 g/mol
LogP4.08
Rot. Bonds2

About (5S,9R)-9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]non-3-en-2-one

(5S,9R)-9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]non-3-en-2-one (PubChem CID 101385413) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is (5S,9R)-9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name(5S,9R)-9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]non-3-en-2-one
PubChem CID101385413
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name(5S,9R)-9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]non-3-en-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@]12C=CC(=O)C2
InChIInChI=1S/C15H26O2Si/c1-14(2,3)18(4,5)17-13-7-6-9-15(13)10-8-12(16)11-15/h8,10,13H,6-7,9,11H2,1-5H3/t13-,15-/m1/s1
InChIKeyJUHAFVDBAPKEJO-UKRRQHHQSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5S,9R)-9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]non-3-en-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 (5S,9R)-9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]non-3-en-2-one?
The IUPAC name of (5S,9R)-9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]non-3-en-2-one (CID 101385413) is (5S,9R)-9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]non-3-en-2-one.
What is the SMILES notation for (5S,9R)-9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]non-3-en-2-one?
The canonical SMILES for (5S,9R)-9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]non-3-en-2-one is CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@]12C=CC(=O)C2.
What is the InChIKey of (5S,9R)-9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]non-3-en-2-one?
The InChIKey is JUHAFVDBAPKEJO-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-14(2,3)18(4,5)17-13-7-6-9-15(13)10-8-12(16)11-15/h8,10,13H,6-7,9,11H2,1-5H3/t13-,15-/m1/s1.
What are the key properties of (5S,9R)-9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]non-3-en-2-one?
(5S,9R)-9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]non-3-en-2-one has a molecular weight of 266.46 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9R)-9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 101385413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).