[(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate

C13H26O2Si — CID 102486407

IUPAC[(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC/C=C/C[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-13(2,3)12(14)15-10-8-7-9-11-16(4,5)6/h7,9H,8,10-11H2,1-6H3/b9-7+
InChIKeyWGERGXDWMHFRFE-VQHVLOKHSA-N
MW242.43 g/mol
LogP3.86
Rot. Bonds5

About [(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate

[(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate (PubChem CID 102486407) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is [(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate
PubChem CID102486407
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name[(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC/C=C/C[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-13(2,3)12(14)15-10-8-7-9-11-16(4,5)6/h7,9H,8,10-11H2,1-6H3/b9-7+
InChIKeyWGERGXDWMHFRFE-VQHVLOKHSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-4-trimethylsilylbut-3-enoate
CID 11769253
Ethyl-(3e)-5,5-dimethyl-3-hexenoate
CID 13643068
Ethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate
CID 10910226
ethyl (Z)-5,5-dimethylhex-3-enoate
CID 134988015
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-3-enoate
CID 101176670
(Z)-Hex-3-enyl pivalate
CID 20836220
ethyl (E)-2,2-dimethylpent-3-enoate
CID 14218816
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-enoate
CID 10966769
[(E)-6-trimethylsilylhex-4-en-2-yl] acetate
CID 12754625
ethyl (E)-2-trimethylsilylpent-3-enoate
CID 13217741
Ethyl 2-trimethylsilylbut-3-enoate
CID 13658179
Methyl 1-methyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate
CID 15259542

Frequently Asked Questions

What is the IUPAC name of [(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate (CID 102486407) is [(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCC/C=C/C[Si](C)(C)C.
What is the InChIKey of [(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate?
The InChIKey is WGERGXDWMHFRFE-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-13(2,3)12(14)15-10-8-7-9-11-16(4,5)6/h7,9H,8,10-11H2,1-6H3/b9-7+.
What are the key properties of [(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate?
[(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate has a molecular weight of 242.43 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 102486407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).