methyl (12E,15E)-10-oxo-9-trimethylsilyloxyoctadeca-12,15-dienoate

C22H40O4Si — CID 91696843

IUPACmethyl (12E,15E)-10-oxo-9-trimethylsilyloxyoctadeca-12,15-dienoate
SMILESCC/C=C/C/C=C/CC(=O)C(CCCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C22H40O4Si/c1-6-7-8-9-11-14-17-20(23)21(26-27(3,4)5)18-15-12-10-13-16-19-22(24)25-2/h7-8,11,14,21H,6,9-10,12-13,15-19H2,1-5H3/b8-7+,14-11+
InChIKeyDIJNJKCAUPXEGO-DQBULIGTSA-N
MW396.64 g/mol
LogP5.98
Rot. Bonds16

About methyl (12E,15E)-10-oxo-9-trimethylsilyloxyoctadeca-12,15-dienoate

methyl (12E,15E)-10-oxo-9-trimethylsilyloxyoctadeca-12,15-dienoate (PubChem CID 91696843) has the molecular formula C22H40O4Si and a molecular weight of 396.64 g/mol. Its IUPAC name is methyl (12E,15E)-10-oxo-9-trimethylsilyloxyoctadeca-12,15-dienoate.

Molecular Properties

Compound Namemethyl (12E,15E)-10-oxo-9-trimethylsilyloxyoctadeca-12,15-dienoate
PubChem CID91696843
Molecular FormulaC22H40O4Si
Molecular Weight396.64 g/mol
Exact Mass396.27
IUPAC Namemethyl (12E,15E)-10-oxo-9-trimethylsilyloxyoctadeca-12,15-dienoate
SMILESCC/C=C/C/C=C/CC(=O)C(CCCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C22H40O4Si/c1-6-7-8-9-11-14-17-20(23)21(26-27(3,4)5)18-15-12-10-13-16-19-22(24)25-2/h7-8,11,14,21H,6,9-10,12-13,15-19H2,1-5H3/b8-7+,14-11+
InChIKeyDIJNJKCAUPXEGO-DQBULIGTSA-N
XLogP5.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.64
LogP ≤ 55.98
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl (12E,15E)-10-oxo-9-trimethylsilyloxyoctadeca-12,15-dienoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2-oxononadec-10-enoate
CID 9819245
ethyl (Z)-2-oxooctadec-9-enoate
CID 9862069
Oleic acid, trimethylsilyl ester
CID 5366433
Linoleic acid trimethylsilyl ester
CID 5352430
Trimethylsilyl (3Z,6Z,9Z)-3,6,9-octadecatrienoate
CID 5366426
Trimethylsilyl (9E)-9-octadecenoate
CID 5352431
Palmitoleic acid trimethylsilyl ester
CID 5352900
1-Monooleoylglycerol trimethylsilyl ether
CID 5366386
9-Octadecenoic acid, 2-[(trimethylsilyl)oxy]-1-[[(trimethylsilyl)oxy]methyl]ethyl ester
CID 5366530
12-Keto-9(2)-octadecen-13-olide
CID 6443930
(z,z,z)9,12,15-Octadecatrienoic acid 2,3-bis[(trimethylsilyl)oxy]propyl ester
CID 21160049
Methyl 9,12,13-tris-(trimethylsilyloxy)-10-octadecenoate
CID 85854561

Frequently Asked Questions

What is the IUPAC name of methyl (12E,15E)-10-oxo-9-trimethylsilyloxyoctadeca-12,15-dienoate?
The IUPAC name of methyl (12E,15E)-10-oxo-9-trimethylsilyloxyoctadeca-12,15-dienoate (CID 91696843) is methyl (12E,15E)-10-oxo-9-trimethylsilyloxyoctadeca-12,15-dienoate.
What is the SMILES notation for methyl (12E,15E)-10-oxo-9-trimethylsilyloxyoctadeca-12,15-dienoate?
The canonical SMILES for methyl (12E,15E)-10-oxo-9-trimethylsilyloxyoctadeca-12,15-dienoate is CC/C=C/C/C=C/CC(=O)C(CCCCCCCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl (12E,15E)-10-oxo-9-trimethylsilyloxyoctadeca-12,15-dienoate?
The InChIKey is DIJNJKCAUPXEGO-DQBULIGTSA-N. The full InChI is InChI=1S/C22H40O4Si/c1-6-7-8-9-11-14-17-20(23)21(26-27(3,4)5)18-15-12-10-13-16-19-22(24)25-2/h7-8,11,14,21H,6,9-10,12-13,15-19H2,1-5H3/b8-7+,14-11+.
What are the key properties of methyl (12E,15E)-10-oxo-9-trimethylsilyloxyoctadeca-12,15-dienoate?
methyl (12E,15E)-10-oxo-9-trimethylsilyloxyoctadeca-12,15-dienoate has a molecular weight of 396.64 g/mol, XLogP of 5.98, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (12E,15E)-10-oxo-9-trimethylsilyloxyoctadeca-12,15-dienoate is sourced from PubChem (CID 91696843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).