tert-butyl-dimethyl-octadecoxysilane

C24H52OSi — CID 529170

IUPACtert-butyl-dimethyl-octadecoxysilane
SMILESCCCCCCCCCCCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H52OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-26(5,6)24(2,3)4/h7-23H2,1-6H3
InChIKeyFLXIDOPWVJYZFM-UHFFFAOYSA-N
MW384.77 g/mol
LogP9.27
Rot. Bonds18

About tert-butyl-dimethyl-octadecoxysilane

tert-butyl-dimethyl-octadecoxysilane (PubChem CID 529170) has the molecular formula C24H52OSi and a molecular weight of 384.77 g/mol. Its IUPAC name is tert-butyl-dimethyl-octadecoxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-octadecoxysilane
PubChem CID529170
Molecular FormulaC24H52OSi
Molecular Weight384.77 g/mol
Exact Mass384.38
IUPAC Nametert-butyl-dimethyl-octadecoxysilane
SMILESCCCCCCCCCCCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H52OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-26(5,6)24(2,3)4/h7-23H2,1-6H3
InChIKeyFLXIDOPWVJYZFM-UHFFFAOYSA-N
XLogP9.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.77
LogP ≤ 59.27
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-octadecoxysilane?
The IUPAC name of tert-butyl-dimethyl-octadecoxysilane (CID 529170) is tert-butyl-dimethyl-octadecoxysilane.
What is the SMILES notation for tert-butyl-dimethyl-octadecoxysilane?
The canonical SMILES for tert-butyl-dimethyl-octadecoxysilane is CCCCCCCCCCCCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-octadecoxysilane?
The InChIKey is FLXIDOPWVJYZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-26(5,6)24(2,3)4/h7-23H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-octadecoxysilane?
tert-butyl-dimethyl-octadecoxysilane has a molecular weight of 384.77 g/mol, XLogP of 9.27, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-octadecoxysilane is sourced from PubChem (CID 529170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).