methyl (2E,5E)-3-prop-2-enyl-7-trimethylsilylhepta-2,5-dienoate

C14H24O2Si — CID 102415961

IUPACmethyl (2E,5E)-3-prop-2-enyl-7-trimethylsilylhepta-2,5-dienoate
SMILESC=CC/C(=C\C(=O)OC)C/C=C/C[Si](C)(C)C
InChIInChI=1S/C14H24O2Si/c1-6-9-13(12-14(15)16-2)10-7-8-11-17(3,4)5/h6-8,12H,1,9-11H2,2-5H3/b8-7+,13-12+
InChIKeyZZTMESIRQCBQJU-GEJAPMDVSA-N
MW252.43 g/mol
LogP3.95
Rot. Bonds7

About methyl (2E,5E)-3-prop-2-enyl-7-trimethylsilylhepta-2,5-dienoate

methyl (2E,5E)-3-prop-2-enyl-7-trimethylsilylhepta-2,5-dienoate (PubChem CID 102415961) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is methyl (2E,5E)-3-prop-2-enyl-7-trimethylsilylhepta-2,5-dienoate.

Molecular Properties

Compound Namemethyl (2E,5E)-3-prop-2-enyl-7-trimethylsilylhepta-2,5-dienoate
PubChem CID102415961
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Namemethyl (2E,5E)-3-prop-2-enyl-7-trimethylsilylhepta-2,5-dienoate
SMILESC=CC/C(=C\C(=O)OC)C/C=C/C[Si](C)(C)C
InChIInChI=1S/C14H24O2Si/c1-6-9-13(12-14(15)16-2)10-7-8-11-17(3,4)5/h6-8,12H,1,9-11H2,2-5H3/b8-7+,13-12+
InChIKeyZZTMESIRQCBQJU-GEJAPMDVSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2E,5E)-3-prop-2-enyl-7-trimethylsilylhepta-2,5-dienoate?
The IUPAC name of methyl (2E,5E)-3-prop-2-enyl-7-trimethylsilylhepta-2,5-dienoate (CID 102415961) is methyl (2E,5E)-3-prop-2-enyl-7-trimethylsilylhepta-2,5-dienoate.
What is the SMILES notation for methyl (2E,5E)-3-prop-2-enyl-7-trimethylsilylhepta-2,5-dienoate?
The canonical SMILES for methyl (2E,5E)-3-prop-2-enyl-7-trimethylsilylhepta-2,5-dienoate is C=CC/C(=C\C(=O)OC)C/C=C/C[Si](C)(C)C.
What is the InChIKey of methyl (2E,5E)-3-prop-2-enyl-7-trimethylsilylhepta-2,5-dienoate?
The InChIKey is ZZTMESIRQCBQJU-GEJAPMDVSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-6-9-13(12-14(15)16-2)10-7-8-11-17(3,4)5/h6-8,12H,1,9-11H2,2-5H3/b8-7+,13-12+.
What are the key properties of methyl (2E,5E)-3-prop-2-enyl-7-trimethylsilylhepta-2,5-dienoate?
methyl (2E,5E)-3-prop-2-enyl-7-trimethylsilylhepta-2,5-dienoate has a molecular weight of 252.43 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,5E)-3-prop-2-enyl-7-trimethylsilylhepta-2,5-dienoate is sourced from PubChem (CID 102415961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).