(3-hydroxy-2-trimethylsilyloxypropyl) octadec-9-enoate

C24H48O4Si — CID 91053801

IUPAC(3-hydroxy-2-trimethylsilyloxypropyl) octadec-9-enoate
SMILESCCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O[Si](C)(C)C
InChIInChI=1S/C24H48O4Si/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/h12-13,23,25H,5-11,14-22H2,1-4H3
InChIKeyRHROCRJNAJAVFO-UHFFFAOYSA-N
MW428.73 g/mol
LogP6.78
Rot. Bonds20

About (3-hydroxy-2-trimethylsilyloxypropyl) octadec-9-enoate

(3-hydroxy-2-trimethylsilyloxypropyl) octadec-9-enoate (PubChem CID 91053801) has the molecular formula C24H48O4Si and a molecular weight of 428.73 g/mol. Its IUPAC name is (3-hydroxy-2-trimethylsilyloxypropyl) octadec-9-enoate.

Molecular Properties

Compound Name(3-hydroxy-2-trimethylsilyloxypropyl) octadec-9-enoate
PubChem CID91053801
Molecular FormulaC24H48O4Si
Molecular Weight428.73 g/mol
Exact Mass428.33
IUPAC Name(3-hydroxy-2-trimethylsilyloxypropyl) octadec-9-enoate
SMILESCCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O[Si](C)(C)C
InChIInChI=1S/C24H48O4Si/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/h12-13,23,25H,5-11,14-22H2,1-4H3
InChIKeyRHROCRJNAJAVFO-UHFFFAOYSA-N
XLogP6.78
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.73
LogP ≤ 56.78
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) octadec-9-enoate?
The IUPAC name of (3-hydroxy-2-trimethylsilyloxypropyl) octadec-9-enoate (CID 91053801) is (3-hydroxy-2-trimethylsilyloxypropyl) octadec-9-enoate.
What is the SMILES notation for (3-hydroxy-2-trimethylsilyloxypropyl) octadec-9-enoate?
The canonical SMILES for (3-hydroxy-2-trimethylsilyloxypropyl) octadec-9-enoate is CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O[Si](C)(C)C.
What is the InChIKey of (3-hydroxy-2-trimethylsilyloxypropyl) octadec-9-enoate?
The InChIKey is RHROCRJNAJAVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O4Si/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/h12-13,23,25H,5-11,14-22H2,1-4H3.
What are the key properties of (3-hydroxy-2-trimethylsilyloxypropyl) octadec-9-enoate?
(3-hydroxy-2-trimethylsilyloxypropyl) octadec-9-enoate has a molecular weight of 428.73 g/mol, XLogP of 6.78, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-trimethylsilyloxypropyl) octadec-9-enoate is sourced from PubChem (CID 91053801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).