tert-butyl-dimethyl-[(E)-undec-4-en-6-ynoxy]silane

C17H32OSi — CID 23240903

IUPACtert-butyl-dimethyl-[(E)-undec-4-en-6-ynoxy]silane
SMILESCCCCC#C/C=C/CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32OSi/c1-7-8-9-10-11-12-13-14-15-16-18-19(5,6)17(2,3)4/h12-13H,7-9,14-16H2,1-6H3/b13-12+
InChIKeyMNQKUWMNIWPHFR-OUKQBFOZSA-N
MW280.53 g/mol
LogP5.54
Rot. Bonds7

About tert-butyl-dimethyl-[(E)-undec-4-en-6-ynoxy]silane

tert-butyl-dimethyl-[(E)-undec-4-en-6-ynoxy]silane (PubChem CID 23240903) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-undec-4-en-6-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-undec-4-en-6-ynoxy]silane
PubChem CID23240903
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Nametert-butyl-dimethyl-[(E)-undec-4-en-6-ynoxy]silane
SMILESCCCCC#C/C=C/CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32OSi/c1-7-8-9-10-11-12-13-14-15-16-18-19(5,6)17(2,3)4/h12-13H,7-9,14-16H2,1-6H3/b13-12+
InChIKeyMNQKUWMNIWPHFR-OUKQBFOZSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.54
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl-dimethyl-[(E)-undec-4-en-6-ynoxy]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-undec-4-en-6-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-undec-4-en-6-ynoxy]silane (CID 23240903) is tert-butyl-dimethyl-[(E)-undec-4-en-6-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-undec-4-en-6-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-undec-4-en-6-ynoxy]silane is CCCCC#C/C=C/CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-undec-4-en-6-ynoxy]silane?
The InChIKey is MNQKUWMNIWPHFR-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H32OSi/c1-7-8-9-10-11-12-13-14-15-16-18-19(5,6)17(2,3)4/h12-13H,7-9,14-16H2,1-6H3/b13-12+.
What are the key properties of tert-butyl-dimethyl-[(E)-undec-4-en-6-ynoxy]silane?
tert-butyl-dimethyl-[(E)-undec-4-en-6-ynoxy]silane has a molecular weight of 280.53 g/mol, XLogP of 5.54, 7 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-4-en-6-ynoxy]silane is sourced from PubChem (CID 23240903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).