(3-hydroxy-2-trimethylsilyloxypropyl) octadeca-9,12-dienoate

C24H46O4Si — CID 91369822

IUPAC(3-hydroxy-2-trimethylsilyloxypropyl) octadeca-9,12-dienoate
SMILESCCCCCC=CCC=CCCCCCCCC(=O)OCC(CO)O[Si](C)(C)C
InChIInChI=1S/C24H46O4Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(26)27-22-23(21-25)28-29(2,3)4/h9-10,12-13,23,25H,5-8,11,14-22H2,1-4H3
InChIKeyUMZKXSVTCVSMGD-UHFFFAOYSA-N
MW426.71 g/mol
LogP6.56
Rot. Bonds19

About (3-hydroxy-2-trimethylsilyloxypropyl) octadeca-9,12-dienoate

(3-hydroxy-2-trimethylsilyloxypropyl) octadeca-9,12-dienoate (PubChem CID 91369822) has the molecular formula C24H46O4Si and a molecular weight of 426.71 g/mol. Its IUPAC name is (3-hydroxy-2-trimethylsilyloxypropyl) octadeca-9,12-dienoate.

Molecular Properties

Compound Name(3-hydroxy-2-trimethylsilyloxypropyl) octadeca-9,12-dienoate
PubChem CID91369822
Molecular FormulaC24H46O4Si
Molecular Weight426.71 g/mol
Exact Mass426.32
IUPAC Name(3-hydroxy-2-trimethylsilyloxypropyl) octadeca-9,12-dienoate
SMILESCCCCCC=CCC=CCCCCCCCC(=O)OCC(CO)O[Si](C)(C)C
InChIInChI=1S/C24H46O4Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(26)27-22-23(21-25)28-29(2,3)4/h9-10,12-13,23,25H,5-8,11,14-22H2,1-4H3
InChIKeyUMZKXSVTCVSMGD-UHFFFAOYSA-N
XLogP6.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.71
LogP ≤ 56.56
H-Bond Donors ≤ 51
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'}

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Related Compounds

Glyceryl Monooleate
CID 5283468
Monolinolein
CID 6436630
2-Oleoylglycerol
CID 5319879
Glyceryl Ricinoleate
CID 6433266
1-Linolenoylglycerol
CID 5367328
Glycol oleate
CID 5364420
2-Linoleoylglycerol
CID 5365676
Glyceryl triricinoleate
CID 11764524
1-Monolinolein
CID 5283469
Diolein
CID 6505653
(1S)-1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl (9Z,12Z)-9,12-octadecadienoate
CID 6441562
1,2-Dioleoyl-Sn-Glycerol
CID 9543716

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-trimethylsilyloxypropyl) octadeca-9,12-dienoate?
The IUPAC name of (3-hydroxy-2-trimethylsilyloxypropyl) octadeca-9,12-dienoate (CID 91369822) is (3-hydroxy-2-trimethylsilyloxypropyl) octadeca-9,12-dienoate.
What is the SMILES notation for (3-hydroxy-2-trimethylsilyloxypropyl) octadeca-9,12-dienoate?
The canonical SMILES for (3-hydroxy-2-trimethylsilyloxypropyl) octadeca-9,12-dienoate is CCCCCC=CCC=CCCCCCCCC(=O)OCC(CO)O[Si](C)(C)C.
What is the InChIKey of (3-hydroxy-2-trimethylsilyloxypropyl) octadeca-9,12-dienoate?
The InChIKey is UMZKXSVTCVSMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O4Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(26)27-22-23(21-25)28-29(2,3)4/h9-10,12-13,23,25H,5-8,11,14-22H2,1-4H3.
What are the key properties of (3-hydroxy-2-trimethylsilyloxypropyl) octadeca-9,12-dienoate?
(3-hydroxy-2-trimethylsilyloxypropyl) octadeca-9,12-dienoate has a molecular weight of 426.71 g/mol, XLogP of 6.56, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-trimethylsilyloxypropyl) octadeca-9,12-dienoate is sourced from PubChem (CID 91369822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).