methyl 9,10-bis(trimethylsilyloxy)octadecanoate

C25H54O4Si2 — CID 553462

IUPACmethyl 9,10-bis(trimethylsilyloxy)octadecanoate
SMILESCCCCCCCCC(O[Si](C)(C)C)C(CCCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C25H54O4Si2/c1-9-10-11-12-14-17-20-23(28-30(3,4)5)24(29-31(6,7)8)21-18-15-13-16-19-22-25(26)27-2/h23-24H,9-22H2,1-8H3
InChIKeyILEDQJOBZQXLIW-UHFFFAOYSA-N
MW474.88 g/mol
LogP8.08
Rot. Bonds20

About methyl 9,10-bis(trimethylsilyloxy)octadecanoate

methyl 9,10-bis(trimethylsilyloxy)octadecanoate (PubChem CID 553462) has the molecular formula C25H54O4Si2 and a molecular weight of 474.88 g/mol. Its IUPAC name is methyl 9,10-bis(trimethylsilyloxy)octadecanoate.

Molecular Properties

Compound Namemethyl 9,10-bis(trimethylsilyloxy)octadecanoate
PubChem CID553462
Molecular FormulaC25H54O4Si2
Molecular Weight474.88 g/mol
Exact Mass474.36
IUPAC Namemethyl 9,10-bis(trimethylsilyloxy)octadecanoate
SMILESCCCCCCCCC(O[Si](C)(C)C)C(CCCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C25H54O4Si2/c1-9-10-11-12-14-17-20-23(28-30(3,4)5)24(29-31(6,7)8)21-18-15-13-16-19-22-25(26)27-2/h23-24H,9-22H2,1-8H3
InChIKeyILEDQJOBZQXLIW-UHFFFAOYSA-N
XLogP8.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.88
LogP ≤ 58.08
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'}

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Related Compounds

methyl 9,10,12-tris(trimethylsilyloxy)octadecanoate
CID 71372132
methyl 8-trimethylsilyloxyhexadecanoate
CID 14454572
methyl 12-trimethylsilyloxyoctadecanoate
CID 604384
methyl (6S,7S,16S)-6,7,16-tris(trimethylsilyloxy)heptadecanoate
CID 162911043
methyl (E,10S,13S)-10,13-bis(trimethylsilyloxy)icos-11-enoate
CID 10006194
methyl 4-trimethylsilyloxyhexadecanoate
CID 71410391
methyl (13R)-13-methoxynonadecanoate
CID 163048020
methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate
CID 526836
methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate
CID 526837
methyl 9,10-diacetyloxyoctadecanoate
CID 14345254
methyl (Z)-11-trimethylsilyloxyoctadec-9-enoate
CID 5366650
methyl (E)-13-trimethylsilyloxyoctadec-11-enoate
CID 10000118

Frequently Asked Questions

What is the IUPAC name of methyl 9,10-bis(trimethylsilyloxy)octadecanoate?
The IUPAC name of methyl 9,10-bis(trimethylsilyloxy)octadecanoate (CID 553462) is methyl 9,10-bis(trimethylsilyloxy)octadecanoate.
What is the SMILES notation for methyl 9,10-bis(trimethylsilyloxy)octadecanoate?
The canonical SMILES for methyl 9,10-bis(trimethylsilyloxy)octadecanoate is CCCCCCCCC(O[Si](C)(C)C)C(CCCCCCCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl 9,10-bis(trimethylsilyloxy)octadecanoate?
The InChIKey is ILEDQJOBZQXLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54O4Si2/c1-9-10-11-12-14-17-20-23(28-30(3,4)5)24(29-31(6,7)8)21-18-15-13-16-19-22-25(26)27-2/h23-24H,9-22H2,1-8H3.
What are the key properties of methyl 9,10-bis(trimethylsilyloxy)octadecanoate?
methyl 9,10-bis(trimethylsilyloxy)octadecanoate has a molecular weight of 474.88 g/mol, XLogP of 8.08, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9,10-bis(trimethylsilyloxy)octadecanoate is sourced from PubChem (CID 553462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).