[(E)-4-methylidene-7-trimethylsilylhept-5-enyl] acetate

C13H24O2Si — CID 134982109

IUPAC[(E)-4-methylidene-7-trimethylsilylhept-5-enyl] acetate
SMILESC=C(/C=C/C[Si](C)(C)C)CCCOC(C)=O
InChIInChI=1S/C13H24O2Si/c1-12(8-6-10-15-13(2)14)9-7-11-16(3,4)5/h7,9H,1,6,8,10-11H2,2-5H3/b9-7+
InChIKeyAJXQQWIBLCPSLE-VQHVLOKHSA-N
MW240.42 g/mol
LogP3.78
Rot. Bonds7

About [(E)-4-methylidene-7-trimethylsilylhept-5-enyl] acetate

[(E)-4-methylidene-7-trimethylsilylhept-5-enyl] acetate (PubChem CID 134982109) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is [(E)-4-methylidene-7-trimethylsilylhept-5-enyl] acetate.

Molecular Properties

Compound Name[(E)-4-methylidene-7-trimethylsilylhept-5-enyl] acetate
PubChem CID134982109
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name[(E)-4-methylidene-7-trimethylsilylhept-5-enyl] acetate
SMILESC=C(/C=C/C[Si](C)(C)C)CCCOC(C)=O
InChIInChI=1S/C13H24O2Si/c1-12(8-6-10-15-13(2)14)9-7-11-16(3,4)5/h7,9H,1,6,8,10-11H2,2-5H3/b9-7+
InChIKeyAJXQQWIBLCPSLE-VQHVLOKHSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.78
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': 'polyene', 'substructure': 'N/A'}

Analyze [(E)-4-methylidene-7-trimethylsilylhept-5-enyl] acetate 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

5E,7Z-Dodecadienyl acetate
CID 5363496
5E,7E-Dodecadienyl acetate
CID 5367419
5Z,7Z-Dodecadienyl acetate
CID 13831422
5Z,7E-Dodecadienyl acetate
CID 13831423
5,7-Dodecadienyl acetate
CID 538039
6-Methyl-6-acetoxypropylfulvene
CID 13307745
[(E)-4-methylidenedodec-5-enyl] acetate
CID 101251322
[(E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylidenenon-5-enyl] acetate
CID 102216395
[(E)-6-trimethylsilylhex-4-enyl] 2,2-dimethylpropanoate
CID 102486405
[(E)-4-methylidenenon-5-enyl] acetate
CID 134916339
ethyl (4E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-4,6-dienoate
CID 134918433
5-Heptenoic acid, 6-methyl-2-(1,1,1-trimethylsilyl)-, ethyl ester
CID 543913

Frequently Asked Questions

What is the IUPAC name of [(E)-4-methylidene-7-trimethylsilylhept-5-enyl] acetate?
The IUPAC name of [(E)-4-methylidene-7-trimethylsilylhept-5-enyl] acetate (CID 134982109) is [(E)-4-methylidene-7-trimethylsilylhept-5-enyl] acetate.
What is the SMILES notation for [(E)-4-methylidene-7-trimethylsilylhept-5-enyl] acetate?
The canonical SMILES for [(E)-4-methylidene-7-trimethylsilylhept-5-enyl] acetate is C=C(/C=C/C[Si](C)(C)C)CCCOC(C)=O.
What is the InChIKey of [(E)-4-methylidene-7-trimethylsilylhept-5-enyl] acetate?
The InChIKey is AJXQQWIBLCPSLE-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-12(8-6-10-15-13(2)14)9-7-11-16(3,4)5/h7,9H,1,6,8,10-11H2,2-5H3/b9-7+.
What are the key properties of [(E)-4-methylidene-7-trimethylsilylhept-5-enyl] acetate?
[(E)-4-methylidene-7-trimethylsilylhept-5-enyl] acetate has a molecular weight of 240.42 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-methylidene-7-trimethylsilylhept-5-enyl] acetate is sourced from PubChem (CID 134982109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).