2,3-bis(trimethylsilyloxy)propyl 2,14-dimethylhexadecanoate

C27H58O4Si2 — CID 91747629

IUPAC2,3-bis(trimethylsilyloxy)propyl 2,14-dimethylhexadecanoate
SMILESCCC(C)CCCCCCCCCCCC(C)C(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C27H58O4Si2/c1-10-24(2)20-18-16-14-12-11-13-15-17-19-21-25(3)27(28)29-22-26(31-33(7,8)9)23-30-32(4,5)6/h24-26H,10-23H2,1-9H3
InChIKeyFXDQXLHNUCZFPT-UHFFFAOYSA-N
MW502.93 g/mol
LogP8.57
Rot. Bonds21

About 2,3-bis(trimethylsilyloxy)propyl 2,14-dimethylhexadecanoate

2,3-bis(trimethylsilyloxy)propyl 2,14-dimethylhexadecanoate (PubChem CID 91747629) has the molecular formula C27H58O4Si2 and a molecular weight of 502.93 g/mol. Its IUPAC name is 2,3-bis(trimethylsilyloxy)propyl 2,14-dimethylhexadecanoate.

Molecular Properties

Compound Name2,3-bis(trimethylsilyloxy)propyl 2,14-dimethylhexadecanoate
PubChem CID91747629
Molecular FormulaC27H58O4Si2
Molecular Weight502.93 g/mol
Exact Mass502.39
IUPAC Name2,3-bis(trimethylsilyloxy)propyl 2,14-dimethylhexadecanoate
SMILESCCC(C)CCCCCCCCCCCC(C)C(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C27H58O4Si2/c1-10-24(2)20-18-16-14-12-11-13-15-17-19-21-25(3)27(28)29-22-26(31-33(7,8)9)23-30-32(4,5)6/h24-26H,10-23H2,1-9H3
InChIKeyFXDQXLHNUCZFPT-UHFFFAOYSA-N
XLogP8.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.93
LogP ≤ 58.57
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

Triisostearin
CID 168634
Isohexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
CID 111921
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
TG(i-20:0/a-17:0/i-24:0)[rac]
CID 131770493
[(2R)-3-decanoyloxy-2-(18-methylnonadecanoyloxy)propyl] 18-methylnonadecanoate
CID 131770494
[(2R)-1-(17-methyloctadecanoyloxy)-3-tetradecanoyloxypropan-2-yl] docosanoate
CID 131770495

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(trimethylsilyloxy)propyl 2,14-dimethylhexadecanoate?
The IUPAC name of 2,3-bis(trimethylsilyloxy)propyl 2,14-dimethylhexadecanoate (CID 91747629) is 2,3-bis(trimethylsilyloxy)propyl 2,14-dimethylhexadecanoate.
What is the SMILES notation for 2,3-bis(trimethylsilyloxy)propyl 2,14-dimethylhexadecanoate?
The canonical SMILES for 2,3-bis(trimethylsilyloxy)propyl 2,14-dimethylhexadecanoate is CCC(C)CCCCCCCCCCCC(C)C(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2,3-bis(trimethylsilyloxy)propyl 2,14-dimethylhexadecanoate?
The InChIKey is FXDQXLHNUCZFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58O4Si2/c1-10-24(2)20-18-16-14-12-11-13-15-17-19-21-25(3)27(28)29-22-26(31-33(7,8)9)23-30-32(4,5)6/h24-26H,10-23H2,1-9H3.
What are the key properties of 2,3-bis(trimethylsilyloxy)propyl 2,14-dimethylhexadecanoate?
2,3-bis(trimethylsilyloxy)propyl 2,14-dimethylhexadecanoate has a molecular weight of 502.93 g/mol, XLogP of 8.57, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(trimethylsilyloxy)propyl 2,14-dimethylhexadecanoate is sourced from PubChem (CID 91747629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).