tert-butyl-dimethyl-(2-methyltetradecoxy)silane

C21H46OSi — CID 6430236

IUPACtert-butyl-dimethyl-(2-methyltetradecoxy)silane
SMILESCCCCCCCCCCCCC(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H46OSi/c1-8-9-10-11-12-13-14-15-16-17-18-20(2)19-22-23(6,7)21(3,4)5/h20H,8-19H2,1-7H3
InChIKeyPIXZKDSMUKJLBO-UHFFFAOYSA-N
MW342.68 g/mol
LogP7.96
Rot. Bonds14

About tert-butyl-dimethyl-(2-methyltetradecoxy)silane

tert-butyl-dimethyl-(2-methyltetradecoxy)silane (PubChem CID 6430236) has the molecular formula C21H46OSi and a molecular weight of 342.68 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2-methyltetradecoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2-methyltetradecoxy)silane
PubChem CID6430236
Molecular FormulaC21H46OSi
Molecular Weight342.68 g/mol
Exact Mass342.33
IUPAC Nametert-butyl-dimethyl-(2-methyltetradecoxy)silane
SMILESCCCCCCCCCCCCC(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H46OSi/c1-8-9-10-11-12-13-14-15-16-17-18-20(2)19-22-23(6,7)21(3,4)5/h20H,8-19H2,1-7H3
InChIKeyPIXZKDSMUKJLBO-UHFFFAOYSA-N
XLogP7.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.68
LogP ≤ 57.96
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(2-methyltetradecoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(2-methyltetradecoxy)silane (CID 6430236) is tert-butyl-dimethyl-(2-methyltetradecoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(2-methyltetradecoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(2-methyltetradecoxy)silane is CCCCCCCCCCCCC(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(2-methyltetradecoxy)silane?
The InChIKey is PIXZKDSMUKJLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46OSi/c1-8-9-10-11-12-13-14-15-16-17-18-20(2)19-22-23(6,7)21(3,4)5/h20H,8-19H2,1-7H3.
What are the key properties of tert-butyl-dimethyl-(2-methyltetradecoxy)silane?
tert-butyl-dimethyl-(2-methyltetradecoxy)silane has a molecular weight of 342.68 g/mol, XLogP of 7.96, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2-methyltetradecoxy)silane is sourced from PubChem (CID 6430236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).