tert-butyl-dimethyl-[(E)-undec-1-enoxy]silane

C17H36OSi — CID 14942039

IUPACtert-butyl-dimethyl-[(E)-undec-1-enoxy]silane
SMILESCCCCCCCCC/C=C/O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36OSi/c1-7-8-9-10-11-12-13-14-15-16-18-19(5,6)17(2,3)4/h15-16H,7-14H2,1-6H3/b16-15+
InChIKeyOJPKWOCHCGFFJM-FOCLMDBBSA-N
MW284.56 g/mol
LogP6.66
Rot. Bonds10

About tert-butyl-dimethyl-[(E)-undec-1-enoxy]silane

tert-butyl-dimethyl-[(E)-undec-1-enoxy]silane (PubChem CID 14942039) has the molecular formula C17H36OSi and a molecular weight of 284.56 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-undec-1-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-undec-1-enoxy]silane
PubChem CID14942039
Molecular FormulaC17H36OSi
Molecular Weight284.56 g/mol
Exact Mass284.25
IUPAC Nametert-butyl-dimethyl-[(E)-undec-1-enoxy]silane
SMILESCCCCCCCCC/C=C/O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36OSi/c1-7-8-9-10-11-12-13-14-15-16-18-19(5,6)17(2,3)4/h15-16H,7-14H2,1-6H3/b16-15+
InChIKeyOJPKWOCHCGFFJM-FOCLMDBBSA-N
XLogP6.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.56
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-[(E)-undec-1-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-undec-1-enoxy]silane (CID 14942039) is tert-butyl-dimethyl-[(E)-undec-1-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-undec-1-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-undec-1-enoxy]silane is CCCCCCCCC/C=C/O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-undec-1-enoxy]silane?
The InChIKey is OJPKWOCHCGFFJM-FOCLMDBBSA-N. The full InChI is InChI=1S/C17H36OSi/c1-7-8-9-10-11-12-13-14-15-16-18-19(5,6)17(2,3)4/h15-16H,7-14H2,1-6H3/b16-15+.
What are the key properties of tert-butyl-dimethyl-[(E)-undec-1-enoxy]silane?
tert-butyl-dimethyl-[(E)-undec-1-enoxy]silane has a molecular weight of 284.56 g/mol, XLogP of 6.66, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-undec-1-enoxy]silane is sourced from PubChem (CID 14942039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).