methyl 2-trimethylsilyltetradeca-2,3,13-trienoate

C18H32O2Si — CID 154710374

IUPACmethyl 2-trimethylsilyltetradeca-2,3,13-trienoate
SMILESC=CCCCCCCCCC=C=C(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C18H32O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17(18(19)20-2)21(3,4)5/h6,15H,1,7-14H2,2-5H3
InChIKeyCSKHDZIOLNNZKX-UHFFFAOYSA-N
MW308.54 g/mol
LogP5.43
Rot. Bonds11

About methyl 2-trimethylsilyltetradeca-2,3,13-trienoate

methyl 2-trimethylsilyltetradeca-2,3,13-trienoate (PubChem CID 154710374) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is methyl 2-trimethylsilyltetradeca-2,3,13-trienoate.

Molecular Properties

Compound Namemethyl 2-trimethylsilyltetradeca-2,3,13-trienoate
PubChem CID154710374
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Namemethyl 2-trimethylsilyltetradeca-2,3,13-trienoate
SMILESC=CCCCCCCCCC=C=C(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C18H32O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17(18(19)20-2)21(3,4)5/h6,15H,1,7-14H2,2-5H3
InChIKeyCSKHDZIOLNNZKX-UHFFFAOYSA-N
XLogP5.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.43
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-trimethylsilyltetradeca-2,3,13-trienoate?
The IUPAC name of methyl 2-trimethylsilyltetradeca-2,3,13-trienoate (CID 154710374) is methyl 2-trimethylsilyltetradeca-2,3,13-trienoate.
What is the SMILES notation for methyl 2-trimethylsilyltetradeca-2,3,13-trienoate?
The canonical SMILES for methyl 2-trimethylsilyltetradeca-2,3,13-trienoate is C=CCCCCCCCCC=C=C(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl 2-trimethylsilyltetradeca-2,3,13-trienoate?
The InChIKey is CSKHDZIOLNNZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17(18(19)20-2)21(3,4)5/h6,15H,1,7-14H2,2-5H3.
What are the key properties of methyl 2-trimethylsilyltetradeca-2,3,13-trienoate?
methyl 2-trimethylsilyltetradeca-2,3,13-trienoate has a molecular weight of 308.54 g/mol, XLogP of 5.43, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-trimethylsilyltetradeca-2,3,13-trienoate is sourced from PubChem (CID 154710374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).