[2-(12-methyltetradecanoyloxy)-3-trimethylsilyloxypropyl] 12-methyltetradecanoate

C36H72O5Si — CID 91749534

IUPAC[2-(12-methyltetradecanoyloxy)-3-trimethylsilyloxypropyl] 12-methyltetradecanoate
SMILESCCC(C)CCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)OC(=O)CCCCCCCCCCC(C)CC
InChIInChI=1S/C36H72O5Si/c1-8-32(3)26-22-18-14-10-12-16-20-24-28-35(37)39-30-34(31-40-42(5,6)7)41-36(38)29-25-21-17-13-11-15-19-23-27-33(4)9-2/h32-34H,8-31H2,1-7H3
InChIKeyXLZTVMHBGWKPLB-UHFFFAOYSA-N
MW613.05 g/mol
LogP11.19
Rot. Bonds30

About [2-(12-methyltetradecanoyloxy)-3-trimethylsilyloxypropyl] 12-methyltetradecanoate

[2-(12-methyltetradecanoyloxy)-3-trimethylsilyloxypropyl] 12-methyltetradecanoate (PubChem CID 91749534) has the molecular formula C36H72O5Si and a molecular weight of 613.05 g/mol. Its IUPAC name is [2-(12-methyltetradecanoyloxy)-3-trimethylsilyloxypropyl] 12-methyltetradecanoate.

Molecular Properties

Compound Name[2-(12-methyltetradecanoyloxy)-3-trimethylsilyloxypropyl] 12-methyltetradecanoate
PubChem CID91749534
Molecular FormulaC36H72O5Si
Molecular Weight613.05 g/mol
Exact Mass612.51
IUPAC Name[2-(12-methyltetradecanoyloxy)-3-trimethylsilyloxypropyl] 12-methyltetradecanoate
SMILESCCC(C)CCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)OC(=O)CCCCCCCCCCC(C)CC
InChIInChI=1S/C36H72O5Si/c1-8-32(3)26-22-18-14-10-12-16-20-24-28-35(37)39-30-34(31-40-42(5,6)7)41-36(38)29-25-21-17-13-11-15-19-23-27-33(4)9-2/h32-34H,8-31H2,1-7H3
InChIKeyXLZTVMHBGWKPLB-UHFFFAOYSA-N
XLogP11.19
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds30
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.05
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Triisostearin
CID 168634
Octyldodecyl Stearoyl Stearate
CID 174782
Polyglyceryl-2 Tetraisostearate
CID 102523418
Isohexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
CID 111921
Isooctadecanoic acid, 1,1'-(1-methyl-1,2-ethanediyl) ester
CID 111927
Triheptylundecanoin
CID 15789864
[(2S)-1-decanoyloxy-3-(10-methylundecanoyloxy)propan-2-yl] dodecanoate
CID 131778213
[(2S)-3-decanoyloxy-2-dodecanoyloxypropyl] 13-methyltetradecanoate
CID 131778247
[(2S)-2-icosanoyloxy-3-nonadecanoyloxypropyl] 19-methylicosanoate
CID 131770489
[(2S)-3-(16-methylheptadecanoyloxy)-2-(10-methylundecanoyloxy)propyl] icosanoate
CID 131770490
[(2R)-3-(18-methylnonadecanoyloxy)-2-(13-methyltetradecanoyloxy)propyl] icosanoate
CID 131770491
[(2R)-3-octanoyloxy-2-tetradecanoyloxypropyl] 18-methylnonadecanoate
CID 131770492

Frequently Asked Questions

What is the IUPAC name of [2-(12-methyltetradecanoyloxy)-3-trimethylsilyloxypropyl] 12-methyltetradecanoate?
The IUPAC name of [2-(12-methyltetradecanoyloxy)-3-trimethylsilyloxypropyl] 12-methyltetradecanoate (CID 91749534) is [2-(12-methyltetradecanoyloxy)-3-trimethylsilyloxypropyl] 12-methyltetradecanoate.
What is the SMILES notation for [2-(12-methyltetradecanoyloxy)-3-trimethylsilyloxypropyl] 12-methyltetradecanoate?
The canonical SMILES for [2-(12-methyltetradecanoyloxy)-3-trimethylsilyloxypropyl] 12-methyltetradecanoate is CCC(C)CCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)OC(=O)CCCCCCCCCCC(C)CC.
What is the InChIKey of [2-(12-methyltetradecanoyloxy)-3-trimethylsilyloxypropyl] 12-methyltetradecanoate?
The InChIKey is XLZTVMHBGWKPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H72O5Si/c1-8-32(3)26-22-18-14-10-12-16-20-24-28-35(37)39-30-34(31-40-42(5,6)7)41-36(38)29-25-21-17-13-11-15-19-23-27-33(4)9-2/h32-34H,8-31H2,1-7H3.
What are the key properties of [2-(12-methyltetradecanoyloxy)-3-trimethylsilyloxypropyl] 12-methyltetradecanoate?
[2-(12-methyltetradecanoyloxy)-3-trimethylsilyloxypropyl] 12-methyltetradecanoate has a molecular weight of 613.05 g/mol, XLogP of 11.19, 30 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(12-methyltetradecanoyloxy)-3-trimethylsilyloxypropyl] 12-methyltetradecanoate is sourced from PubChem (CID 91749534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).