3-[tert-butyl(dimethyl)silyl]oxytetradecanoic acid

C20H42O3Si — CID 19373197

IUPAC3-[tert-butyl(dimethyl)silyl]oxytetradecanoic acid
SMILESCCCCCCCCCCCC(CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O3Si/c1-7-8-9-10-11-12-13-14-15-16-18(17-19(21)22)23-24(5,6)20(2,3)4/h18H,7-17H2,1-6H3,(H,21,22)
InChIKeySKIKENNGTZUVJL-UHFFFAOYSA-N
MW358.64 g/mol
LogP6.77
Rot. Bonds14

About 3-[tert-butyl(dimethyl)silyl]oxytetradecanoic acid

3-[tert-butyl(dimethyl)silyl]oxytetradecanoic acid (PubChem CID 19373197) has the molecular formula C20H42O3Si and a molecular weight of 358.64 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxytetradecanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxytetradecanoic acid
PubChem CID19373197
Molecular FormulaC20H42O3Si
Molecular Weight358.64 g/mol
Exact Mass358.29
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxytetradecanoic acid
SMILESCCCCCCCCCCCC(CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O3Si/c1-7-8-9-10-11-12-13-14-15-16-18(17-19(21)22)23-24(5,6)20(2,3)4/h18H,7-17H2,1-6H3,(H,21,22)
InChIKeySKIKENNGTZUVJL-UHFFFAOYSA-N
XLogP6.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.64
LogP ≤ 56.77
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-[tert-butyl(dimethyl)silyl]oxytetradecanoic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxytetradecanoic acid (CID 19373197) is 3-[tert-butyl(dimethyl)silyl]oxytetradecanoic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxytetradecanoic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxytetradecanoic acid is CCCCCCCCCCCC(CC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxytetradecanoic acid?
The InChIKey is SKIKENNGTZUVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O3Si/c1-7-8-9-10-11-12-13-14-15-16-18(17-19(21)22)23-24(5,6)20(2,3)4/h18H,7-17H2,1-6H3,(H,21,22).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxytetradecanoic acid?
3-[tert-butyl(dimethyl)silyl]oxytetradecanoic acid has a molecular weight of 358.64 g/mol, XLogP of 6.77, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxytetradecanoic acid is sourced from PubChem (CID 19373197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).