3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(dimethoxymethyl)cyclopentan-1-one

C22H42O4Si — CID 12838025

IUPAC3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(dimethoxymethyl)cyclopentan-1-one
SMILESCCCCCC(/C=C\C1CCC(=O)C1C(OC)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O4Si/c1-9-10-11-12-18(26-27(7,8)22(2,3)4)15-13-17-14-16-19(23)20(17)21(24-5)25-6/h13,15,17-18,20-21H,9-12,14,16H2,1-8H3/b15-13-
InChIKeyFOYATNYZZCMYGQ-SQFISAMPSA-N
MW398.66 g/mol
LogP5.73
Rot. Bonds11

About 3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(dimethoxymethyl)cyclopentan-1-one

3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(dimethoxymethyl)cyclopentan-1-one (PubChem CID 12838025) has the molecular formula C22H42O4Si and a molecular weight of 398.66 g/mol. Its IUPAC name is 3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(dimethoxymethyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(dimethoxymethyl)cyclopentan-1-one
PubChem CID12838025
Molecular FormulaC22H42O4Si
Molecular Weight398.66 g/mol
Exact Mass398.29
IUPAC Name3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(dimethoxymethyl)cyclopentan-1-one
SMILESCCCCCC(/C=C\C1CCC(=O)C1C(OC)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O4Si/c1-9-10-11-12-18(26-27(7,8)22(2,3)4)15-13-17-14-16-19(23)20(17)21(24-5)25-6/h13,15,17-18,20-21H,9-12,14,16H2,1-8H3/b15-13-
InChIKeyFOYATNYZZCMYGQ-SQFISAMPSA-N
XLogP5.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.66
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(dimethoxymethyl)cyclopentan-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 3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(dimethoxymethyl)cyclopentan-1-one?
The IUPAC name of 3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(dimethoxymethyl)cyclopentan-1-one (CID 12838025) is 3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(dimethoxymethyl)cyclopentan-1-one.
What is the SMILES notation for 3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(dimethoxymethyl)cyclopentan-1-one?
The canonical SMILES for 3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(dimethoxymethyl)cyclopentan-1-one is CCCCCC(/C=C\C1CCC(=O)C1C(OC)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(dimethoxymethyl)cyclopentan-1-one?
The InChIKey is FOYATNYZZCMYGQ-SQFISAMPSA-N. The full InChI is InChI=1S/C22H42O4Si/c1-9-10-11-12-18(26-27(7,8)22(2,3)4)15-13-17-14-16-19(23)20(17)21(24-5)25-6/h13,15,17-18,20-21H,9-12,14,16H2,1-8H3/b15-13-.
What are the key properties of 3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(dimethoxymethyl)cyclopentan-1-one?
3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(dimethoxymethyl)cyclopentan-1-one has a molecular weight of 398.66 g/mol, XLogP of 5.73, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(dimethoxymethyl)cyclopentan-1-one is sourced from PubChem (CID 12838025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).