trimethylsilyl 6-methyltetradecanoate

C18H38O2Si — CID 526097

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

About trimethylsilyl 6-methyltetradecanoate

trimethylsilyl 6-methyltetradecanoate (PubChem CID 526097) has the molecular formula C18H38O2Si and a molecular weight of 314.59 g/mol. Its IUPAC name is trimethylsilyl 6-methyltetradecanoate.

Molecular Properties

Compound Nametrimethylsilyl 6-methyltetradecanoate
PubChem CID526097
Molecular FormulaC18H38O2Si
Molecular Weight314.59 g/mol
Exact Mass314.26
IUPAC Nametrimethylsilyl 6-methyltetradecanoate
SMILESCCCCCCCCC(C)CCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C18H38O2Si/c1-6-7-8-9-10-11-14-17(2)15-12-13-16-18(19)20-21(3,4)5/h17H,6-16H2,1-5H3
InChIKeyDMXSKGFQEOEEEL-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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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 6-methyltetradecanoate?
The IUPAC name of trimethylsilyl 6-methyltetradecanoate (CID 526097) is trimethylsilyl 6-methyltetradecanoate.
What is the SMILES notation for trimethylsilyl 6-methyltetradecanoate?
The canonical SMILES for trimethylsilyl 6-methyltetradecanoate is CCCCCCCCC(C)CCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 6-methyltetradecanoate?
The InChIKey is DMXSKGFQEOEEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2Si/c1-6-7-8-9-10-11-14-17(2)15-12-13-16-18(19)20-21(3,4)5/h17H,6-16H2,1-5H3.
What are the key properties of trimethylsilyl 6-methyltetradecanoate?
trimethylsilyl 6-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 6-methyltetradecanoate is sourced from PubChem (CID 526097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).