tert-butyl-dodecyl-diethoxysilane

C20H44O2Si — CID 18990612

IUPACtert-butyl-dodecyl-diethoxysilane
SMILESCCCCCCCCCCCC[Si](OCC)(OCC)C(C)(C)C
InChIInChI=1S/C20H44O2Si/c1-7-10-11-12-13-14-15-16-17-18-19-23(21-8-2,22-9-3)20(4,5)6/h7-19H2,1-6H3
InChIKeyVODDZJOCHURSPN-UHFFFAOYSA-N
MW344.66 g/mol
LogP7.22
Rot. Bonds15

About tert-butyl-dodecyl-diethoxysilane

tert-butyl-dodecyl-diethoxysilane (PubChem CID 18990612) has the molecular formula C20H44O2Si and a molecular weight of 344.66 g/mol. Its IUPAC name is tert-butyl-dodecyl-diethoxysilane.

Molecular Properties

Compound Nametert-butyl-dodecyl-diethoxysilane
PubChem CID18990612
Molecular FormulaC20H44O2Si
Molecular Weight344.66 g/mol
Exact Mass344.31
IUPAC Nametert-butyl-dodecyl-diethoxysilane
SMILESCCCCCCCCCCCC[Si](OCC)(OCC)C(C)(C)C
InChIInChI=1S/C20H44O2Si/c1-7-10-11-12-13-14-15-16-17-18-19-23(21-8-2,22-9-3)20(4,5)6/h7-19H2,1-6H3
InChIKeyVODDZJOCHURSPN-UHFFFAOYSA-N
XLogP7.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.66
LogP ≤ 57.22
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-dodecyl-diethoxysilane?
The IUPAC name of tert-butyl-dodecyl-diethoxysilane (CID 18990612) is tert-butyl-dodecyl-diethoxysilane.
What is the SMILES notation for tert-butyl-dodecyl-diethoxysilane?
The canonical SMILES for tert-butyl-dodecyl-diethoxysilane is CCCCCCCCCCCC[Si](OCC)(OCC)C(C)(C)C.
What is the InChIKey of tert-butyl-dodecyl-diethoxysilane?
The InChIKey is VODDZJOCHURSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44O2Si/c1-7-10-11-12-13-14-15-16-17-18-19-23(21-8-2,22-9-3)20(4,5)6/h7-19H2,1-6H3.
What are the key properties of tert-butyl-dodecyl-diethoxysilane?
tert-butyl-dodecyl-diethoxysilane has a molecular weight of 344.66 g/mol, XLogP of 7.22, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dodecyl-diethoxysilane is sourced from PubChem (CID 18990612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).