methyl (9Z,12Z)-15-trimethylsilyloxyoctadeca-9,12-dienoate

C22H42O3Si — CID 91718975

IUPACmethyl (9Z,12Z)-15-trimethylsilyloxyoctadeca-9,12-dienoate
SMILESCCCC(C/C=C\C/C=C\CCCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C22H42O3Si/c1-6-18-21(25-26(3,4)5)19-16-14-12-10-8-7-9-11-13-15-17-20-22(23)24-2/h8,10,14,16,21H,6-7,9,11-13,15,17-20H2,1-5H3/b10-8-,16-14-
InChIKeyNNHTXAYOYQUKJH-UDJAPEQQSA-N
MW382.66 g/mol
LogP6.80
Rot. Bonds16

About methyl (9Z,12Z)-15-trimethylsilyloxyoctadeca-9,12-dienoate

methyl (9Z,12Z)-15-trimethylsilyloxyoctadeca-9,12-dienoate (PubChem CID 91718975) has the molecular formula C22H42O3Si and a molecular weight of 382.66 g/mol. Its IUPAC name is methyl (9Z,12Z)-15-trimethylsilyloxyoctadeca-9,12-dienoate.

Molecular Properties

Compound Namemethyl (9Z,12Z)-15-trimethylsilyloxyoctadeca-9,12-dienoate
PubChem CID91718975
Molecular FormulaC22H42O3Si
Molecular Weight382.66 g/mol
Exact Mass382.29
IUPAC Namemethyl (9Z,12Z)-15-trimethylsilyloxyoctadeca-9,12-dienoate
SMILESCCCC(C/C=C\C/C=C\CCCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C22H42O3Si/c1-6-18-21(25-26(3,4)5)19-16-14-12-10-8-7-9-11-13-15-17-20-22(23)24-2/h8,10,14,16,21H,6-7,9,11-13,15,17-20H2,1-5H3/b10-8-,16-14-
InChIKeyNNHTXAYOYQUKJH-UDJAPEQQSA-N
XLogP6.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.66
LogP ≤ 56.80
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'}

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Related Compounds

Methyl Ricinoleate
CID 5354133
Vernolate
CID 25246088
Methyl acetyl ricinoleate
CID 5354176
Isopropyl Oleate
CID 5356108
Isopropyl Linoleate
CID 5352860
9-Octadecenoic acid, 12-(acetyloxy)-, butyl ester, (9Z,12R)-
CID 5354171
Methyl O-acetylricinoleate
CID 5282107
2-Methoxyethyl (9Z,12R)-12-(acetyloxy)-9-octadecenoate
CID 5354167
Methyl 12-hydroxyoctadec-9-enoate
CID 8841
12-Hydroxy-9-octadecenoic acid methyl ester
CID 6032867
Methyl ricinelaidate
CID 6507945
9,12-Octadecadienoic acid (9Z,12Z)-, 1-methylethyl ester
CID 89882

Frequently Asked Questions

What is the IUPAC name of methyl (9Z,12Z)-15-trimethylsilyloxyoctadeca-9,12-dienoate?
The IUPAC name of methyl (9Z,12Z)-15-trimethylsilyloxyoctadeca-9,12-dienoate (CID 91718975) is methyl (9Z,12Z)-15-trimethylsilyloxyoctadeca-9,12-dienoate.
What is the SMILES notation for methyl (9Z,12Z)-15-trimethylsilyloxyoctadeca-9,12-dienoate?
The canonical SMILES for methyl (9Z,12Z)-15-trimethylsilyloxyoctadeca-9,12-dienoate is CCCC(C/C=C\C/C=C\CCCCCCCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl (9Z,12Z)-15-trimethylsilyloxyoctadeca-9,12-dienoate?
The InChIKey is NNHTXAYOYQUKJH-UDJAPEQQSA-N. The full InChI is InChI=1S/C22H42O3Si/c1-6-18-21(25-26(3,4)5)19-16-14-12-10-8-7-9-11-13-15-17-20-22(23)24-2/h8,10,14,16,21H,6-7,9,11-13,15,17-20H2,1-5H3/b10-8-,16-14-.
What are the key properties of methyl (9Z,12Z)-15-trimethylsilyloxyoctadeca-9,12-dienoate?
methyl (9Z,12Z)-15-trimethylsilyloxyoctadeca-9,12-dienoate has a molecular weight of 382.66 g/mol, XLogP of 6.80, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (9Z,12Z)-15-trimethylsilyloxyoctadeca-9,12-dienoate is sourced from PubChem (CID 91718975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).