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

C26H56O4Si2 — CID 91747628

IUPAC2,3-bis(trimethylsilyloxy)propyl 14-methylhexadecanoate
SMILESCCC(C)CCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C26H56O4Si2/c1-9-24(2)20-18-16-14-12-10-11-13-15-17-19-21-26(27)28-22-25(30-32(6,7)8)23-29-31(3,4)5/h24-25H,9-23H2,1-8H3
InChIKeyPLRJDLXACILJRN-UHFFFAOYSA-N
MW488.90 g/mol
LogP8.33
Rot. Bonds21

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

2,3-bis(trimethylsilyloxy)propyl 14-methylhexadecanoate (PubChem CID 91747628) has the molecular formula C26H56O4Si2 and a molecular weight of 488.90 g/mol. Its IUPAC name is 2,3-bis(trimethylsilyloxy)propyl 14-methylhexadecanoate.

Molecular Properties

Compound Name2,3-bis(trimethylsilyloxy)propyl 14-methylhexadecanoate
PubChem CID91747628
Molecular FormulaC26H56O4Si2
Molecular Weight488.90 g/mol
Exact Mass488.37
IUPAC Name2,3-bis(trimethylsilyloxy)propyl 14-methylhexadecanoate
SMILESCCC(C)CCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C26H56O4Si2/c1-9-24(2)20-18-16-14-12-10-11-13-15-17-19-21-26(27)28-22-25(30-32(6,7)8)23-29-31(3,4)5/h24-25H,9-23H2,1-8H3
InChIKeyPLRJDLXACILJRN-UHFFFAOYSA-N
XLogP8.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.90
LogP ≤ 58.33
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

2,3-bis(trimethylsilyloxy)propyl 14-methylheptadecanoate
CID 91747627
2,3-bis(trimethylsilyloxy)propyl nonadecanoate
CID 634380
(3-pentadecanoyloxy-2-trimethylsilyloxypropyl) hexadecanoate
CID 91751325
[(2R)-1-(18-methylicosanoyloxy)-3-(12-methyltetradecanoyloxy)propan-2-yl] 22-methyltetracosanoate
CID 131811610
[(2S)-2,3-bis(18-methylicosanoyloxy)propyl] 22-methyltetracosanoate
CID 131777373
[(2R)-2,3-bis(18-methylicosanoyloxy)propyl] 22-methyltetracosanoate
CID 131774931
[(2S)-2-(14-methylhexadecanoyloxy)-3-(18-methylicosanoyloxy)propyl] 22-methyltetracosanoate
CID 131776841
[(2R)-2-(14-methylhexadecanoyloxy)-3-(12-methyltetradecanoyloxy)propyl] 14-methylhexadecanoate
CID 131810370
[(2S)-3-(10-methyldodecanoyloxy)-2-(18-methylicosanoyloxy)propyl] 22-methyltetracosanoate
CID 131777169
[(2S)-3-(14-methylhexadecanoyloxy)-2-(18-methylicosanoyloxy)propyl] 22-methyltetracosanoate
CID 131776808
2,3-bis(10-methyldodecanoyloxy)propyl 10-methyldodecanoate
CID 131805122
[(2S)-2-hydroxy-3-(10-methyldodecanoyloxy)propyl] 18-methylicosanoate
CID 131800571

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(trimethylsilyloxy)propyl 14-methylhexadecanoate?
The IUPAC name of 2,3-bis(trimethylsilyloxy)propyl 14-methylhexadecanoate (CID 91747628) is 2,3-bis(trimethylsilyloxy)propyl 14-methylhexadecanoate.
What is the SMILES notation for 2,3-bis(trimethylsilyloxy)propyl 14-methylhexadecanoate?
The canonical SMILES for 2,3-bis(trimethylsilyloxy)propyl 14-methylhexadecanoate is CCC(C)CCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2,3-bis(trimethylsilyloxy)propyl 14-methylhexadecanoate?
The InChIKey is PLRJDLXACILJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56O4Si2/c1-9-24(2)20-18-16-14-12-10-11-13-15-17-19-21-26(27)28-22-25(30-32(6,7)8)23-29-31(3,4)5/h24-25H,9-23H2,1-8H3.
What are the key properties of 2,3-bis(trimethylsilyloxy)propyl 14-methylhexadecanoate?
2,3-bis(trimethylsilyloxy)propyl 14-methylhexadecanoate has a molecular weight of 488.90 g/mol, XLogP of 8.33, 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 14-methylhexadecanoate is sourced from PubChem (CID 91747628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).