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

C25H54OSi — CID 6430235

IUPACtert-butyl-dimethyl-(2-methyloctadecoxy)silane
SMILESCCCCCCCCCCCCCCCCC(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H54OSi/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(2)23-26-27(6,7)25(3,4)5/h24H,8-23H2,1-7H3
InChIKeyHEYMPGYNUYNRLG-UHFFFAOYSA-N
MW398.79 g/mol
LogP9.52
Rot. Bonds18

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

tert-butyl-dimethyl-(2-methyloctadecoxy)silane (PubChem CID 6430235) has the molecular formula C25H54OSi and a molecular weight of 398.79 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2-methyloctadecoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2-methyloctadecoxy)silane
PubChem CID6430235
Molecular FormulaC25H54OSi
Molecular Weight398.79 g/mol
Exact Mass398.39
IUPAC Nametert-butyl-dimethyl-(2-methyloctadecoxy)silane
SMILESCCCCCCCCCCCCCCCCC(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H54OSi/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(2)23-26-27(6,7)25(3,4)5/h24H,8-23H2,1-7H3
InChIKeyHEYMPGYNUYNRLG-UHFFFAOYSA-N
XLogP9.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.79
LogP ≤ 59.52
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-methyloctadecoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(2-methyloctadecoxy)silane (CID 6430235) is tert-butyl-dimethyl-(2-methyloctadecoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(2-methyloctadecoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(2-methyloctadecoxy)silane is CCCCCCCCCCCCCCCCC(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(2-methyloctadecoxy)silane?
The InChIKey is HEYMPGYNUYNRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54OSi/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(2)23-26-27(6,7)25(3,4)5/h24H,8-23H2,1-7H3.
What are the key properties of tert-butyl-dimethyl-(2-methyloctadecoxy)silane?
tert-butyl-dimethyl-(2-methyloctadecoxy)silane has a molecular weight of 398.79 g/mol, XLogP of 9.52, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2-methyloctadecoxy)silane is sourced from PubChem (CID 6430235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).