[tert-butyl(dimethyl)silyl] (9Z,12Z)-octadeca-9,12-dienoate

C24H46O2Si — CID 5379173

IUPAC[tert-butyl(dimethyl)silyl] (9Z,12Z)-octadeca-9,12-dienoate
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)26-27(5,6)24(2,3)4/h11-12,14-15H,7-10,13,16-22H2,1-6H3/b12-11-,15-14-
InChIKeyRDRZXODIXADGQF-HDXUUTQWSA-N
MW394.72 g/mol
LogP8.35
Rot. Bonds15

About [tert-butyl(dimethyl)silyl] (9Z,12Z)-octadeca-9,12-dienoate

[tert-butyl(dimethyl)silyl] (9Z,12Z)-octadeca-9,12-dienoate (PubChem CID 5379173) has the molecular formula C24H46O2Si and a molecular weight of 394.72 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] (9Z,12Z)-octadeca-9,12-dienoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] (9Z,12Z)-octadeca-9,12-dienoate
PubChem CID5379173
Molecular FormulaC24H46O2Si
Molecular Weight394.72 g/mol
Exact Mass394.33
IUPAC Name[tert-butyl(dimethyl)silyl] (9Z,12Z)-octadeca-9,12-dienoate
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)26-27(5,6)24(2,3)4/h11-12,14-15H,7-10,13,16-22H2,1-6H3/b12-11-,15-14-
InChIKeyRDRZXODIXADGQF-HDXUUTQWSA-N
XLogP8.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.72
LogP ≤ 58.35
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'}

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Related Compounds

Sodium Oleate
CID 23665730
Potassium Oleate
CID 23665571
Oleic acid, ion(1-)
CID 5460221
Tributyltin oleate
CID 16684076
alpha-Linolenate
CID 5461005
Linoleate
CID 5460332
Lithium oleate
CID 23673654
Palmitoleate
CID 5461012
(7Z,10Z,13Z,16Z,19Z)-docosapentaenoate
CID 40846589
Tributyltin linoleate
CID 16683089
Iron oleate
CID 86605544
Trimethylsilyl 10-undecenoate
CID 552417

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] (9Z,12Z)-octadeca-9,12-dienoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] (9Z,12Z)-octadeca-9,12-dienoate (CID 5379173) is [tert-butyl(dimethyl)silyl] (9Z,12Z)-octadeca-9,12-dienoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] (9Z,12Z)-octadeca-9,12-dienoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] (9Z,12Z)-octadeca-9,12-dienoate is CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] (9Z,12Z)-octadeca-9,12-dienoate?
The InChIKey is RDRZXODIXADGQF-HDXUUTQWSA-N. The full InChI is InChI=1S/C24H46O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)26-27(5,6)24(2,3)4/h11-12,14-15H,7-10,13,16-22H2,1-6H3/b12-11-,15-14-.
What are the key properties of [tert-butyl(dimethyl)silyl] (9Z,12Z)-octadeca-9,12-dienoate?
[tert-butyl(dimethyl)silyl] (9Z,12Z)-octadeca-9,12-dienoate has a molecular weight of 394.72 g/mol, XLogP of 8.35, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] (9Z,12Z)-octadeca-9,12-dienoate is sourced from PubChem (CID 5379173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).