trimethylsilyl 8-methyltetradecanoate

C18H38O2Si — CID 526098

IUPACtrimethylsilyl 8-methyltetradecanoate
SMILESCCCCCCC(C)CCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C18H38O2Si/c1-6-7-8-11-14-17(2)15-12-9-10-13-16-18(19)20-21(3,4)5/h17H,6-16H2,1-5H3
InChIKeyXJXAPBBVLDGQJR-UHFFFAOYSA-N
MW314.59 g/mol
LogP6.31
Rot. Bonds13

About trimethylsilyl 8-methyltetradecanoate

trimethylsilyl 8-methyltetradecanoate (PubChem CID 526098) has the molecular formula C18H38O2Si and a molecular weight of 314.59 g/mol. Its IUPAC name is trimethylsilyl 8-methyltetradecanoate.

Molecular Properties

Compound Nametrimethylsilyl 8-methyltetradecanoate
PubChem CID526098
Molecular FormulaC18H38O2Si
Molecular Weight314.59 g/mol
Exact Mass314.26
IUPAC Nametrimethylsilyl 8-methyltetradecanoate
SMILESCCCCCCC(C)CCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C18H38O2Si/c1-6-7-8-11-14-17(2)15-12-9-10-13-16-18(19)20-21(3,4)5/h17H,6-16H2,1-5H3
InChIKeyXJXAPBBVLDGQJR-UHFFFAOYSA-N
XLogP6.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.59
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

trimethylsilyl 10-methyltricosanoate
CID 91747658
trimethylsilyl icosanoate
CID 521648
trimethylsilyl 17-methyloctadecanoate
CID 91752780
methyl 17-methyltetracosanoate
CID 91697154
[dimethyl(propan-2-yl)silyl] hexadecanoate
CID 628588
methyl 7-methyldodecanoate
CID 162457531
bis(3-methyltetradecyl) hexanedioate
CID 177339640
2-methylundecyl undecanoate
CID 71429255
(9,12-dimethyl-20-tetradecanoyloxyicosyl) tetradecanoate
CID 170848877
trideuteriomethyl 10-methyloctadecanoate
CID 171381344
4-methyloctanoyl nonanoate
CID 56983372
dioctyl 4-methyloctadecanedioate
CID 87117142

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 8-methyltetradecanoate?
The IUPAC name of trimethylsilyl 8-methyltetradecanoate (CID 526098) is trimethylsilyl 8-methyltetradecanoate.
What is the SMILES notation for trimethylsilyl 8-methyltetradecanoate?
The canonical SMILES for trimethylsilyl 8-methyltetradecanoate is CCCCCCC(C)CCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 8-methyltetradecanoate?
The InChIKey is XJXAPBBVLDGQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2Si/c1-6-7-8-11-14-17(2)15-12-9-10-13-16-18(19)20-21(3,4)5/h17H,6-16H2,1-5H3.
What are the key properties of trimethylsilyl 8-methyltetradecanoate?
trimethylsilyl 8-methyltetradecanoate has a molecular weight of 314.59 g/mol, XLogP of 6.31, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 8-methyltetradecanoate is sourced from PubChem (CID 526098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).