14-[tert-butyl(dimethyl)silyl]oxytetradecan-2-one

C20H42O2Si — CID 71426209

IUPAC14-[tert-butyl(dimethyl)silyl]oxytetradecan-2-one
SMILESCC(=O)CCCCCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O2Si/c1-19(21)17-15-13-11-9-7-8-10-12-14-16-18-22-23(5,6)20(2,3)4/h7-18H2,1-6H3
InChIKeyRTJGVNIUKQHHTQ-UHFFFAOYSA-N
MW342.64 g/mol
LogP6.89
Rot. Bonds14

About 14-[tert-butyl(dimethyl)silyl]oxytetradecan-2-one

14-[tert-butyl(dimethyl)silyl]oxytetradecan-2-one (PubChem CID 71426209) has the molecular formula C20H42O2Si and a molecular weight of 342.64 g/mol. Its IUPAC name is 14-[tert-butyl(dimethyl)silyl]oxytetradecan-2-one.

Molecular Properties

Compound Name14-[tert-butyl(dimethyl)silyl]oxytetradecan-2-one
PubChem CID71426209
Molecular FormulaC20H42O2Si
Molecular Weight342.64 g/mol
Exact Mass342.30
IUPAC Name14-[tert-butyl(dimethyl)silyl]oxytetradecan-2-one
SMILESCC(=O)CCCCCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O2Si/c1-19(21)17-15-13-11-9-7-8-10-12-14-16-18-22-23(5,6)20(2,3)4/h7-18H2,1-6H3
InChIKeyRTJGVNIUKQHHTQ-UHFFFAOYSA-N
XLogP6.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.64
LogP ≤ 56.89
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'}

Analyze 14-[tert-butyl(dimethyl)silyl]oxytetradecan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 14-[tert-butyl(dimethyl)silyl]oxytetradecan-2-one?
The IUPAC name of 14-[tert-butyl(dimethyl)silyl]oxytetradecan-2-one (CID 71426209) is 14-[tert-butyl(dimethyl)silyl]oxytetradecan-2-one.
What is the SMILES notation for 14-[tert-butyl(dimethyl)silyl]oxytetradecan-2-one?
The canonical SMILES for 14-[tert-butyl(dimethyl)silyl]oxytetradecan-2-one is CC(=O)CCCCCCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 14-[tert-butyl(dimethyl)silyl]oxytetradecan-2-one?
The InChIKey is RTJGVNIUKQHHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O2Si/c1-19(21)17-15-13-11-9-7-8-10-12-14-16-18-22-23(5,6)20(2,3)4/h7-18H2,1-6H3.
What are the key properties of 14-[tert-butyl(dimethyl)silyl]oxytetradecan-2-one?
14-[tert-butyl(dimethyl)silyl]oxytetradecan-2-one has a molecular weight of 342.64 g/mol, XLogP of 6.89, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[tert-butyl(dimethyl)silyl]oxytetradecan-2-one is sourced from PubChem (CID 71426209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).