methyl (7Z,10Z,12E)-14-trimethylsilyloxynonadeca-7,10,12-trienoate

C23H42O3Si — CID 91736006

IUPACmethyl (7Z,10Z,12E)-14-trimethylsilyloxynonadeca-7,10,12-trienoate
SMILESCCCCCC(/C=C/C=C\C/C=C\CCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C23H42O3Si/c1-6-7-16-19-22(26-27(3,4)5)20-17-14-12-10-8-9-11-13-15-18-21-23(24)25-2/h8-9,12,14,17,20,22H,6-7,10-11,13,15-16,18-19,21H2,1-5H3/b9-8-,14-12-,20-17+
InChIKeyHRKQBRCLTMCGQS-MZAMXYHSSA-N
MW394.67 g/mol
LogP6.97
Rot. Bonds16

About methyl (7Z,10Z,12E)-14-trimethylsilyloxynonadeca-7,10,12-trienoate

methyl (7Z,10Z,12E)-14-trimethylsilyloxynonadeca-7,10,12-trienoate (PubChem CID 91736006) has the molecular formula C23H42O3Si and a molecular weight of 394.67 g/mol. Its IUPAC name is methyl (7Z,10Z,12E)-14-trimethylsilyloxynonadeca-7,10,12-trienoate.

Molecular Properties

Compound Namemethyl (7Z,10Z,12E)-14-trimethylsilyloxynonadeca-7,10,12-trienoate
PubChem CID91736006
Molecular FormulaC23H42O3Si
Molecular Weight394.67 g/mol
Exact Mass394.29
IUPAC Namemethyl (7Z,10Z,12E)-14-trimethylsilyloxynonadeca-7,10,12-trienoate
SMILESCCCCCC(/C=C/C=C\C/C=C\CCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C23H42O3Si/c1-6-7-16-19-22(26-27(3,4)5)20-17-14-12-10-8-9-11-13-15-18-21-23(24)25-2/h8-9,12,14,17,20,22H,6-7,10-11,13,15-16,18-19,21H2,1-5H3/b9-8-,14-12-,20-17+
InChIKeyHRKQBRCLTMCGQS-MZAMXYHSSA-N
XLogP6.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.67
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (7Z,10Z,12E)-14-trimethylsilyloxynonadeca-7,10,12-trienoate?
The IUPAC name of methyl (7Z,10Z,12E)-14-trimethylsilyloxynonadeca-7,10,12-trienoate (CID 91736006) is methyl (7Z,10Z,12E)-14-trimethylsilyloxynonadeca-7,10,12-trienoate.
What is the SMILES notation for methyl (7Z,10Z,12E)-14-trimethylsilyloxynonadeca-7,10,12-trienoate?
The canonical SMILES for methyl (7Z,10Z,12E)-14-trimethylsilyloxynonadeca-7,10,12-trienoate is CCCCCC(/C=C/C=C\C/C=C\CCCCCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl (7Z,10Z,12E)-14-trimethylsilyloxynonadeca-7,10,12-trienoate?
The InChIKey is HRKQBRCLTMCGQS-MZAMXYHSSA-N. The full InChI is InChI=1S/C23H42O3Si/c1-6-7-16-19-22(26-27(3,4)5)20-17-14-12-10-8-9-11-13-15-18-21-23(24)25-2/h8-9,12,14,17,20,22H,6-7,10-11,13,15-16,18-19,21H2,1-5H3/b9-8-,14-12-,20-17+.
What are the key properties of methyl (7Z,10Z,12E)-14-trimethylsilyloxynonadeca-7,10,12-trienoate?
methyl (7Z,10Z,12E)-14-trimethylsilyloxynonadeca-7,10,12-trienoate has a molecular weight of 394.67 g/mol, XLogP of 6.97, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7Z,10Z,12E)-14-trimethylsilyloxynonadeca-7,10,12-trienoate is sourced from PubChem (CID 91736006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).