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

C27H58O4Si2 — CID 91747627

IUPAC2,3-bis(trimethylsilyloxy)propyl 14-methylheptadecanoate
SMILESCCCC(C)CCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C27H58O4Si2/c1-9-20-25(2)21-18-16-14-12-10-11-13-15-17-19-22-27(28)29-23-26(31-33(6,7)8)24-30-32(3,4)5/h25-26H,9-24H2,1-8H3
InChIKeyNDQUKJPMSZDITE-UHFFFAOYSA-N
MW502.93 g/mol
LogP8.72
Rot. Bonds22

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

2,3-bis(trimethylsilyloxy)propyl 14-methylheptadecanoate (PubChem CID 91747627) has the molecular formula C27H58O4Si2 and a molecular weight of 502.93 g/mol. Its IUPAC name is 2,3-bis(trimethylsilyloxy)propyl 14-methylheptadecanoate.

Molecular Properties

Compound Name2,3-bis(trimethylsilyloxy)propyl 14-methylheptadecanoate
PubChem CID91747627
Molecular FormulaC27H58O4Si2
Molecular Weight502.93 g/mol
Exact Mass502.39
IUPAC Name2,3-bis(trimethylsilyloxy)propyl 14-methylheptadecanoate
SMILESCCCC(C)CCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C27H58O4Si2/c1-9-20-25(2)21-18-16-14-12-10-11-13-15-17-19-22-27(28)29-23-26(31-33(6,7)8)24-30-32(3,4)5/h25-26H,9-24H2,1-8H3
InChIKeyNDQUKJPMSZDITE-UHFFFAOYSA-N
XLogP8.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.93
LogP ≤ 58.72
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-methylhexadecanoate
CID 91747628
2,3-bis(trimethylsilyloxy)propyl nonadecanoate
CID 634380
(3-pentadecanoyloxy-2-trimethylsilyloxypropyl) hexadecanoate
CID 91751325
bis(2-methylpentyl) heptanedioate
CID 91718408
[1-(5-methyloctanoyloxy)-3-(7-methyloctanoyloxy)propan-2-yl] dodecanoate
CID 89417180
2-methylundecyl undecanoate
CID 71429255
[(2S)-2,3-dihydroxypropyl] (6S)-6-methylnonanoate
CID 88848768
1,3-bis(trimethylsilyloxy)propan-2-yl pentadecanoate
CID 91751328
trimethylsilyl 8-methyltetradecanoate
CID 526098
trimethylsilyl 10-methyltricosanoate
CID 91747658
(9,12-dimethyl-20-tetradecanoyloxyicosyl) tetradecanoate
CID 170848877
1,3-bis(trimethylsilyloxy)propan-2-yl decanoate
CID 552918

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(trimethylsilyloxy)propyl 14-methylheptadecanoate?
The IUPAC name of 2,3-bis(trimethylsilyloxy)propyl 14-methylheptadecanoate (CID 91747627) is 2,3-bis(trimethylsilyloxy)propyl 14-methylheptadecanoate.
What is the SMILES notation for 2,3-bis(trimethylsilyloxy)propyl 14-methylheptadecanoate?
The canonical SMILES for 2,3-bis(trimethylsilyloxy)propyl 14-methylheptadecanoate is CCCC(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-methylheptadecanoate?
The InChIKey is NDQUKJPMSZDITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58O4Si2/c1-9-20-25(2)21-18-16-14-12-10-11-13-15-17-19-22-27(28)29-23-26(31-33(6,7)8)24-30-32(3,4)5/h25-26H,9-24H2,1-8H3.
What are the key properties of 2,3-bis(trimethylsilyloxy)propyl 14-methylheptadecanoate?
2,3-bis(trimethylsilyloxy)propyl 14-methylheptadecanoate has a molecular weight of 502.93 g/mol, XLogP of 8.72, 22 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-methylheptadecanoate is sourced from PubChem (CID 91747627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).