[tert-butyl(dimethyl)silyl] tetradecanoate

C20H42O2Si — CID 528599

IUPAC[tert-butyl(dimethyl)silyl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19(21)22-23(5,6)20(2,3)4/h7-18H2,1-6H3
InChIKeyLSNQDHCEXPRRSY-UHFFFAOYSA-N
MW342.64 g/mol
LogP7.24
Rot. Bonds13

About [tert-butyl(dimethyl)silyl] tetradecanoate

[tert-butyl(dimethyl)silyl] tetradecanoate (PubChem CID 528599) has the molecular formula C20H42O2Si and a molecular weight of 342.64 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] tetradecanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] tetradecanoate
PubChem CID528599
Molecular FormulaC20H42O2Si
Molecular Weight342.64 g/mol
Exact Mass342.30
IUPAC Name[tert-butyl(dimethyl)silyl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19(21)22-23(5,6)20(2,3)4/h7-18H2,1-6H3
InChIKeyLSNQDHCEXPRRSY-UHFFFAOYSA-N
XLogP7.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.64
LogP ≤ 57.24
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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Related Compounds

[tert-butyl(dimethyl)silyl] heptacosanoate
CID 91752633
[tert-butyl(dimethyl)silyl] (E)-octadec-11-enoate
CID 91743170
bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567
[tert-butyl(dimethyl)silyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
CID 91697184
[tert-butyl(dimethyl)silyl] icosa-5,8,11-triynoate
CID 91697197
[tert-butyl(dimethyl)silyl] 2-oxooctanoate
CID 91696537
[tert-butyl(dimethyl)silyl] 5-fluoropentanoate
CID 87739176
trimethylsilyl icosanoate
CID 521648
[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 22907893
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate
CID 11015240
[dimethyl(trimethylsilyl)silyl] heptanoate
CID 554818
[hexyl(dimethyl)silyl] octadecanoate
CID 175031118

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] tetradecanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] tetradecanoate (CID 528599) is [tert-butyl(dimethyl)silyl] tetradecanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] tetradecanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] tetradecanoate is CCCCCCCCCCCCCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] tetradecanoate?
The InChIKey is LSNQDHCEXPRRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19(21)22-23(5,6)20(2,3)4/h7-18H2,1-6H3.
What are the key properties of [tert-butyl(dimethyl)silyl] tetradecanoate?
[tert-butyl(dimethyl)silyl] tetradecanoate has a molecular weight of 342.64 g/mol, XLogP of 7.24, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] tetradecanoate is sourced from PubChem (CID 528599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).