dimethyl-(2-methylpropoxy)-[(E)-undec-2-enoxy]silane

C17H36O2Si — CID 91697325

IUPACdimethyl-(2-methylpropoxy)-[(E)-undec-2-enoxy]silane
SMILESCCCCCCCC/C=C/CO[Si](C)(C)OCC(C)C
InChIInChI=1S/C17H36O2Si/c1-6-7-8-9-10-11-12-13-14-15-18-20(4,5)19-16-17(2)3/h13-14,17H,6-12,15-16H2,1-5H3/b14-13+
InChIKeyLMFLGVGAKAOYQA-BUHFOSPRSA-N
MW300.56 g/mol
LogP5.68
Rot. Bonds13

About dimethyl-(2-methylpropoxy)-[(E)-undec-2-enoxy]silane

dimethyl-(2-methylpropoxy)-[(E)-undec-2-enoxy]silane (PubChem CID 91697325) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is dimethyl-(2-methylpropoxy)-[(E)-undec-2-enoxy]silane.

Molecular Properties

Compound Namedimethyl-(2-methylpropoxy)-[(E)-undec-2-enoxy]silane
PubChem CID91697325
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Namedimethyl-(2-methylpropoxy)-[(E)-undec-2-enoxy]silane
SMILESCCCCCCCC/C=C/CO[Si](C)(C)OCC(C)C
InChIInChI=1S/C17H36O2Si/c1-6-7-8-9-10-11-12-13-14-15-18-20(4,5)19-16-17(2)3/h13-14,17H,6-12,15-16H2,1-5H3/b14-13+
InChIKeyLMFLGVGAKAOYQA-BUHFOSPRSA-N
XLogP5.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.68
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-methylpropoxy)-[(E)-undec-2-enoxy]silane?
The IUPAC name of dimethyl-(2-methylpropoxy)-[(E)-undec-2-enoxy]silane (CID 91697325) is dimethyl-(2-methylpropoxy)-[(E)-undec-2-enoxy]silane.
What is the SMILES notation for dimethyl-(2-methylpropoxy)-[(E)-undec-2-enoxy]silane?
The canonical SMILES for dimethyl-(2-methylpropoxy)-[(E)-undec-2-enoxy]silane is CCCCCCCC/C=C/CO[Si](C)(C)OCC(C)C.
What is the InChIKey of dimethyl-(2-methylpropoxy)-[(E)-undec-2-enoxy]silane?
The InChIKey is LMFLGVGAKAOYQA-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-6-7-8-9-10-11-12-13-14-15-18-20(4,5)19-16-17(2)3/h13-14,17H,6-12,15-16H2,1-5H3/b14-13+.
What are the key properties of dimethyl-(2-methylpropoxy)-[(E)-undec-2-enoxy]silane?
dimethyl-(2-methylpropoxy)-[(E)-undec-2-enoxy]silane has a molecular weight of 300.56 g/mol, XLogP of 5.68, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methylpropoxy)-[(E)-undec-2-enoxy]silane is sourced from PubChem (CID 91697325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).