16-trimethylsilylhexadecanoic acid

C19H40O2Si — CID 91087067

IUPAC16-trimethylsilylhexadecanoic acid
SMILESC[Si](C)(C)CCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C19H40O2Si/c1-22(2,3)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21/h4-18H2,1-3H3,(H,20,21)
InChIKeyLBHCJVCSIBJIFQ-UHFFFAOYSA-N
MW328.61 g/mol
LogP6.87
Rot. Bonds16

About 16-trimethylsilylhexadecanoic acid

16-trimethylsilylhexadecanoic acid (PubChem CID 91087067) has the molecular formula C19H40O2Si and a molecular weight of 328.61 g/mol. Its IUPAC name is 16-trimethylsilylhexadecanoic acid.

Molecular Properties

Compound Name16-trimethylsilylhexadecanoic acid
PubChem CID91087067
Molecular FormulaC19H40O2Si
Molecular Weight328.61 g/mol
Exact Mass328.28
IUPAC Name16-trimethylsilylhexadecanoic acid
SMILESC[Si](C)(C)CCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C19H40O2Si/c1-22(2,3)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21/h4-18H2,1-3H3,(H,20,21)
InChIKeyLBHCJVCSIBJIFQ-UHFFFAOYSA-N
XLogP6.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.61
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

Palmitic Acid
CID 985
Stearic Acid
CID 5281
Docosanoic Acid
CID 8215
Heptadecanoic Acid
CID 10465
Hexacosanoic Acid
CID 10469
Eicosanoic Acid
CID 10467
Tetracosanoic Acid
CID 11197
Nonadecanoic Acid
CID 12591
Tricosanoic Acid
CID 17085
Octacosanoic acid
CID 10470
Triacontanoic acid
CID 10471
Tritriacontanoic acid
CID 181572

Frequently Asked Questions

What is the IUPAC name of 16-trimethylsilylhexadecanoic acid?
The IUPAC name of 16-trimethylsilylhexadecanoic acid (CID 91087067) is 16-trimethylsilylhexadecanoic acid.
What is the SMILES notation for 16-trimethylsilylhexadecanoic acid?
The canonical SMILES for 16-trimethylsilylhexadecanoic acid is C[Si](C)(C)CCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 16-trimethylsilylhexadecanoic acid?
The InChIKey is LBHCJVCSIBJIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O2Si/c1-22(2,3)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21/h4-18H2,1-3H3,(H,20,21).
What are the key properties of 16-trimethylsilylhexadecanoic acid?
16-trimethylsilylhexadecanoic acid has a molecular weight of 328.61 g/mol, XLogP of 6.87, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-trimethylsilylhexadecanoic acid is sourced from PubChem (CID 91087067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).