3-trimethylsilyloxytetradecanoic acid

C17H36O3Si — CID 18546945

IUPAC3-trimethylsilyloxytetradecanoic acid
SMILESCCCCCCCCCCCC(CC(=O)O)O[Si](C)(C)C
InChIInChI=1S/C17H36O3Si/c1-5-6-7-8-9-10-11-12-13-14-16(15-17(18)19)20-21(2,3)4/h16H,5-15H2,1-4H3,(H,18,19)
InChIKeyDNXRWFTVRYKCPQ-UHFFFAOYSA-N
MW316.56 g/mol
LogP5.60
Rot. Bonds14

About 3-trimethylsilyloxytetradecanoic acid

3-trimethylsilyloxytetradecanoic acid (PubChem CID 18546945) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is 3-trimethylsilyloxytetradecanoic acid.

Molecular Properties

Compound Name3-trimethylsilyloxytetradecanoic acid
PubChem CID18546945
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Name3-trimethylsilyloxytetradecanoic acid
SMILESCCCCCCCCCCCC(CC(=O)O)O[Si](C)(C)C
InChIInChI=1S/C17H36O3Si/c1-5-6-7-8-9-10-11-12-13-14-16(15-17(18)19)20-21(2,3)4/h16H,5-15H2,1-4H3,(H,18,19)
InChIKeyDNXRWFTVRYKCPQ-UHFFFAOYSA-N
XLogP5.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.56
LogP ≤ 55.60
H-Bond Donors ≤ 51
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 3-trimethylsilyloxytetradecanoic acid?
The IUPAC name of 3-trimethylsilyloxytetradecanoic acid (CID 18546945) is 3-trimethylsilyloxytetradecanoic acid.
What is the SMILES notation for 3-trimethylsilyloxytetradecanoic acid?
The canonical SMILES for 3-trimethylsilyloxytetradecanoic acid is CCCCCCCCCCCC(CC(=O)O)O[Si](C)(C)C.
What is the InChIKey of 3-trimethylsilyloxytetradecanoic acid?
The InChIKey is DNXRWFTVRYKCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3Si/c1-5-6-7-8-9-10-11-12-13-14-16(15-17(18)19)20-21(2,3)4/h16H,5-15H2,1-4H3,(H,18,19).
What are the key properties of 3-trimethylsilyloxytetradecanoic acid?
3-trimethylsilyloxytetradecanoic acid has a molecular weight of 316.56 g/mol, XLogP of 5.60, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilyloxytetradecanoic acid is sourced from PubChem (CID 18546945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).