tert-butyl-decyl-ethoxy-methoxysilane

C17H38O2Si — CID 18990606

IUPACtert-butyl-decyl-ethoxy-methoxysilane
SMILESCCCCCCCCCC[Si](OC)(OCC)C(C)(C)C
InChIInChI=1S/C17H38O2Si/c1-7-9-10-11-12-13-14-15-16-20(18-6,19-8-2)17(3,4)5/h7-16H2,1-6H3
InChIKeyBZLCVDKJGZHVHC-UHFFFAOYSA-N
MW302.58 g/mol
LogP6.05
Rot. Bonds12

About tert-butyl-decyl-ethoxy-methoxysilane

tert-butyl-decyl-ethoxy-methoxysilane (PubChem CID 18990606) has the molecular formula C17H38O2Si and a molecular weight of 302.58 g/mol. Its IUPAC name is tert-butyl-decyl-ethoxy-methoxysilane.

Molecular Properties

Compound Nametert-butyl-decyl-ethoxy-methoxysilane
PubChem CID18990606
Molecular FormulaC17H38O2Si
Molecular Weight302.58 g/mol
Exact Mass302.26
IUPAC Nametert-butyl-decyl-ethoxy-methoxysilane
SMILESCCCCCCCCCC[Si](OC)(OCC)C(C)(C)C
InChIInChI=1S/C17H38O2Si/c1-7-9-10-11-12-13-14-15-16-20(18-6,19-8-2)17(3,4)5/h7-16H2,1-6H3
InChIKeyBZLCVDKJGZHVHC-UHFFFAOYSA-N
XLogP6.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.58
LogP ≤ 56.05
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-decyl-ethoxy-methoxysilane?
The IUPAC name of tert-butyl-decyl-ethoxy-methoxysilane (CID 18990606) is tert-butyl-decyl-ethoxy-methoxysilane.
What is the SMILES notation for tert-butyl-decyl-ethoxy-methoxysilane?
The canonical SMILES for tert-butyl-decyl-ethoxy-methoxysilane is CCCCCCCCCC[Si](OC)(OCC)C(C)(C)C.
What is the InChIKey of tert-butyl-decyl-ethoxy-methoxysilane?
The InChIKey is BZLCVDKJGZHVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O2Si/c1-7-9-10-11-12-13-14-15-16-20(18-6,19-8-2)17(3,4)5/h7-16H2,1-6H3.
What are the key properties of tert-butyl-decyl-ethoxy-methoxysilane?
tert-butyl-decyl-ethoxy-methoxysilane has a molecular weight of 302.58 g/mol, XLogP of 6.05, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-decyl-ethoxy-methoxysilane is sourced from PubChem (CID 18990606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).