methyl (10E,12E)-9,14-bis(trimethylsilyloxy)octadeca-10,12-dienoate

C25H50O4Si2 — CID 91749547

IUPACmethyl (10E,12E)-9,14-bis(trimethylsilyloxy)octadeca-10,12-dienoate
SMILESCCCCC(/C=C/C=C/C(CCCCCCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C25H50O4Si2/c1-9-10-18-23(28-30(3,4)5)20-16-17-21-24(29-31(6,7)8)19-14-12-11-13-15-22-25(26)27-2/h16-17,20-21,23-24H,9-15,18-19,22H2,1-8H3/b20-16+,21-17+
InChIKeyOLXGSVOBBXQMEN-NWILIBCHSA-N
MW470.84 g/mol
LogP7.63
Rot. Bonds18

About methyl (10E,12E)-9,14-bis(trimethylsilyloxy)octadeca-10,12-dienoate

methyl (10E,12E)-9,14-bis(trimethylsilyloxy)octadeca-10,12-dienoate (PubChem CID 91749547) has the molecular formula C25H50O4Si2 and a molecular weight of 470.84 g/mol. Its IUPAC name is methyl (10E,12E)-9,14-bis(trimethylsilyloxy)octadeca-10,12-dienoate.

Molecular Properties

Compound Namemethyl (10E,12E)-9,14-bis(trimethylsilyloxy)octadeca-10,12-dienoate
PubChem CID91749547
Molecular FormulaC25H50O4Si2
Molecular Weight470.84 g/mol
Exact Mass470.32
IUPAC Namemethyl (10E,12E)-9,14-bis(trimethylsilyloxy)octadeca-10,12-dienoate
SMILESCCCCC(/C=C/C=C/C(CCCCCCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C25H50O4Si2/c1-9-10-18-23(28-30(3,4)5)20-16-17-21-24(29-31(6,7)8)19-14-12-11-13-15-22-25(26)27-2/h16-17,20-21,23-24H,9-15,18-19,22H2,1-8H3/b20-16+,21-17+
InChIKeyOLXGSVOBBXQMEN-NWILIBCHSA-N
XLogP7.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.84
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl (10E,12E)-9,14-bis(trimethylsilyloxy)octadeca-10,12-dienoate with MolForge

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Related Compounds

methyl (9Z,11E,13S)-13-hydroperoxyoctadeca-9,11-dienoate
CID 13291615
Methyl linoleate hydroperoxide
CID 5284420
9R-HPODE methyl ester
CID 121490127
(8R,9E,11Z,14Z)-8-hydroperoxyicosatrienoate
CID 122391305
(15S)-hydroperoxy-(8Z,11Z,13E)-eicosatrienoate
CID 139036272
(15S)-hydroperoxy-(11Z,13E)-eicosadienoate
CID 139036273
15-HPETrE(1-)
CID 146014762
10,12-Octadecadienoic acid, 9-hydroperoxy-, methyl ester, (E,E)-
CID 13291619
10,12-Octadecadienoic acid, 9-hydroperoxy-, methyl ester, (E,Z)-
CID 13291621
methyl (9Z,11E,13S)-13-acetyloxyoctadeca-9,11-dienoate
CID 162889134
methyl (9Z,11E,13S,15Z)-13-acetyloxyoctadeca-9,11,15-trienoate
CID 162894314
1-Monooleoylglycerol trimethylsilyl ether
CID 5366386

Frequently Asked Questions

What is the IUPAC name of methyl (10E,12E)-9,14-bis(trimethylsilyloxy)octadeca-10,12-dienoate?
The IUPAC name of methyl (10E,12E)-9,14-bis(trimethylsilyloxy)octadeca-10,12-dienoate (CID 91749547) is methyl (10E,12E)-9,14-bis(trimethylsilyloxy)octadeca-10,12-dienoate.
What is the SMILES notation for methyl (10E,12E)-9,14-bis(trimethylsilyloxy)octadeca-10,12-dienoate?
The canonical SMILES for methyl (10E,12E)-9,14-bis(trimethylsilyloxy)octadeca-10,12-dienoate is CCCCC(/C=C/C=C/C(CCCCCCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of methyl (10E,12E)-9,14-bis(trimethylsilyloxy)octadeca-10,12-dienoate?
The InChIKey is OLXGSVOBBXQMEN-NWILIBCHSA-N. The full InChI is InChI=1S/C25H50O4Si2/c1-9-10-18-23(28-30(3,4)5)20-16-17-21-24(29-31(6,7)8)19-14-12-11-13-15-22-25(26)27-2/h16-17,20-21,23-24H,9-15,18-19,22H2,1-8H3/b20-16+,21-17+.
What are the key properties of methyl (10E,12E)-9,14-bis(trimethylsilyloxy)octadeca-10,12-dienoate?
methyl (10E,12E)-9,14-bis(trimethylsilyloxy)octadeca-10,12-dienoate has a molecular weight of 470.84 g/mol, XLogP of 7.63, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (10E,12E)-9,14-bis(trimethylsilyloxy)octadeca-10,12-dienoate is sourced from PubChem (CID 91749547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).