3-[(E)-3-tert-butyl-1-dimethylsilyloxydec-1-enyl]cyclohexan-1-one

C22H42O2Si — CID 173336612

IUPAC3-[(E)-3-tert-butyl-1-dimethylsilyloxydec-1-enyl]cyclohexan-1-one
SMILESCCCCCCCC(/C=C(/O[SiH](C)C)C1CCCC(=O)C1)C(C)(C)C
InChIInChI=1S/C22H42O2Si/c1-7-8-9-10-11-14-19(22(2,3)4)17-21(24-25(5)6)18-13-12-15-20(23)16-18/h17-19,25H,7-16H2,1-6H3/b21-17+
InChIKeyBSPOEJGESKMOFE-HEHNFIMWSA-N
MW366.66 g/mol
LogP6.65
Rot. Bonds10

About 3-[(E)-3-tert-butyl-1-dimethylsilyloxydec-1-enyl]cyclohexan-1-one

3-[(E)-3-tert-butyl-1-dimethylsilyloxydec-1-enyl]cyclohexan-1-one (PubChem CID 173336612) has the molecular formula C22H42O2Si and a molecular weight of 366.66 g/mol. Its IUPAC name is 3-[(E)-3-tert-butyl-1-dimethylsilyloxydec-1-enyl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[(E)-3-tert-butyl-1-dimethylsilyloxydec-1-enyl]cyclohexan-1-one
PubChem CID173336612
Molecular FormulaC22H42O2Si
Molecular Weight366.66 g/mol
Exact Mass366.30
IUPAC Name3-[(E)-3-tert-butyl-1-dimethylsilyloxydec-1-enyl]cyclohexan-1-one
SMILESCCCCCCCC(/C=C(/O[SiH](C)C)C1CCCC(=O)C1)C(C)(C)C
InChIInChI=1S/C22H42O2Si/c1-7-8-9-10-11-14-19(22(2,3)4)17-21(24-25(5)6)18-13-12-15-20(23)16-18/h17-19,25H,7-16H2,1-6H3/b21-17+
InChIKeyBSPOEJGESKMOFE-HEHNFIMWSA-N
XLogP6.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.66
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-[(E)-3-tert-butyl-1-dimethylsilyloxydec-1-enyl]cyclohexan-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-[(E)-3-tert-butyl-1-dimethylsilyloxydec-1-enyl]cyclohexan-1-one?
The IUPAC name of 3-[(E)-3-tert-butyl-1-dimethylsilyloxydec-1-enyl]cyclohexan-1-one (CID 173336612) is 3-[(E)-3-tert-butyl-1-dimethylsilyloxydec-1-enyl]cyclohexan-1-one.
What is the SMILES notation for 3-[(E)-3-tert-butyl-1-dimethylsilyloxydec-1-enyl]cyclohexan-1-one?
The canonical SMILES for 3-[(E)-3-tert-butyl-1-dimethylsilyloxydec-1-enyl]cyclohexan-1-one is CCCCCCCC(/C=C(/O[SiH](C)C)C1CCCC(=O)C1)C(C)(C)C.
What is the InChIKey of 3-[(E)-3-tert-butyl-1-dimethylsilyloxydec-1-enyl]cyclohexan-1-one?
The InChIKey is BSPOEJGESKMOFE-HEHNFIMWSA-N. The full InChI is InChI=1S/C22H42O2Si/c1-7-8-9-10-11-14-19(22(2,3)4)17-21(24-25(5)6)18-13-12-15-20(23)16-18/h17-19,25H,7-16H2,1-6H3/b21-17+.
What are the key properties of 3-[(E)-3-tert-butyl-1-dimethylsilyloxydec-1-enyl]cyclohexan-1-one?
3-[(E)-3-tert-butyl-1-dimethylsilyloxydec-1-enyl]cyclohexan-1-one has a molecular weight of 366.66 g/mol, XLogP of 6.65, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-tert-butyl-1-dimethylsilyloxydec-1-enyl]cyclohexan-1-one is sourced from PubChem (CID 173336612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).