tris(2-methylpropyl)-[(E)-undec-2-enoxy]silane

C23H48OSi — CID 5353181

IUPACtris(2-methylpropyl)-[(E)-undec-2-enoxy]silane
SMILESCCCCCCCC/C=C/CO[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C23H48OSi/c1-8-9-10-11-12-13-14-15-16-17-24-25(18-21(2)3,19-22(4)5)20-23(6)7/h15-16,21-23H,8-14,17-20H2,1-7H3/b16-15+
InChIKeyMEOLYDYECKOAIT-FOCLMDBBSA-N
MW368.72 g/mol
LogP8.22
Rot. Bonds16

About tris(2-methylpropyl)-[(E)-undec-2-enoxy]silane

tris(2-methylpropyl)-[(E)-undec-2-enoxy]silane (PubChem CID 5353181) has the molecular formula C23H48OSi and a molecular weight of 368.72 g/mol. Its IUPAC name is tris(2-methylpropyl)-[(E)-undec-2-enoxy]silane.

Molecular Properties

Compound Nametris(2-methylpropyl)-[(E)-undec-2-enoxy]silane
PubChem CID5353181
Molecular FormulaC23H48OSi
Molecular Weight368.72 g/mol
Exact Mass368.35
IUPAC Nametris(2-methylpropyl)-[(E)-undec-2-enoxy]silane
SMILESCCCCCCCC/C=C/CO[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C23H48OSi/c1-8-9-10-11-12-13-14-15-16-17-24-25(18-21(2)3,19-22(4)5)20-23(6)7/h15-16,21-23H,8-14,17-20H2,1-7H3/b16-15+
InChIKeyMEOLYDYECKOAIT-FOCLMDBBSA-N
XLogP8.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.72
LogP ≤ 58.22
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(2-methylpropyl)-[(E)-undec-2-enoxy]silane?
The IUPAC name of tris(2-methylpropyl)-[(E)-undec-2-enoxy]silane (CID 5353181) is tris(2-methylpropyl)-[(E)-undec-2-enoxy]silane.
What is the SMILES notation for tris(2-methylpropyl)-[(E)-undec-2-enoxy]silane?
The canonical SMILES for tris(2-methylpropyl)-[(E)-undec-2-enoxy]silane is CCCCCCCC/C=C/CO[Si](CC(C)C)(CC(C)C)CC(C)C.
What is the InChIKey of tris(2-methylpropyl)-[(E)-undec-2-enoxy]silane?
The InChIKey is MEOLYDYECKOAIT-FOCLMDBBSA-N. The full InChI is InChI=1S/C23H48OSi/c1-8-9-10-11-12-13-14-15-16-17-24-25(18-21(2)3,19-22(4)5)20-23(6)7/h15-16,21-23H,8-14,17-20H2,1-7H3/b16-15+.
What are the key properties of tris(2-methylpropyl)-[(E)-undec-2-enoxy]silane?
tris(2-methylpropyl)-[(E)-undec-2-enoxy]silane has a molecular weight of 368.72 g/mol, XLogP of 8.22, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylpropyl)-[(E)-undec-2-enoxy]silane is sourced from PubChem (CID 5353181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).