[(E)-but-2-enoxy]-(4-methylpentoxy)-diphenylsilane

C22H30O2Si — CID 91732591

IUPAC[(E)-but-2-enoxy]-(4-methylpentoxy)-diphenylsilane
SMILESC/C=C/CO[Si](OCCCC(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O2Si/c1-4-5-18-23-25(21-14-8-6-9-15-21,22-16-10-7-11-17-22)24-19-12-13-20(2)3/h4-11,14-17,20H,12-13,18-19H2,1-3H3/b5-4+
InChIKeyMYXPHCLBBOBWOR-SNAWJCMRSA-N
MW354.57 g/mol
LogP4.29
Rot. Bonds10

About [(E)-but-2-enoxy]-(4-methylpentoxy)-diphenylsilane

[(E)-but-2-enoxy]-(4-methylpentoxy)-diphenylsilane (PubChem CID 91732591) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is [(E)-but-2-enoxy]-(4-methylpentoxy)-diphenylsilane.

Molecular Properties

Compound Name[(E)-but-2-enoxy]-(4-methylpentoxy)-diphenylsilane
PubChem CID91732591
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Name[(E)-but-2-enoxy]-(4-methylpentoxy)-diphenylsilane
SMILESC/C=C/CO[Si](OCCCC(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O2Si/c1-4-5-18-23-25(21-14-8-6-9-15-21,22-16-10-7-11-17-22)24-19-12-13-20(2)3/h4-11,14-17,20H,12-13,18-19H2,1-3H3/b5-4+
InChIKeyMYXPHCLBBOBWOR-SNAWJCMRSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.57
LogP ≤ 54.29
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 [(E)-but-2-enoxy]-(4-methylpentoxy)-diphenylsilane?
The IUPAC name of [(E)-but-2-enoxy]-(4-methylpentoxy)-diphenylsilane (CID 91732591) is [(E)-but-2-enoxy]-(4-methylpentoxy)-diphenylsilane.
What is the SMILES notation for [(E)-but-2-enoxy]-(4-methylpentoxy)-diphenylsilane?
The canonical SMILES for [(E)-but-2-enoxy]-(4-methylpentoxy)-diphenylsilane is C/C=C/CO[Si](OCCCC(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-but-2-enoxy]-(4-methylpentoxy)-diphenylsilane?
The InChIKey is MYXPHCLBBOBWOR-SNAWJCMRSA-N. The full InChI is InChI=1S/C22H30O2Si/c1-4-5-18-23-25(21-14-8-6-9-15-21,22-16-10-7-11-17-22)24-19-12-13-20(2)3/h4-11,14-17,20H,12-13,18-19H2,1-3H3/b5-4+.
What are the key properties of [(E)-but-2-enoxy]-(4-methylpentoxy)-diphenylsilane?
[(E)-but-2-enoxy]-(4-methylpentoxy)-diphenylsilane has a molecular weight of 354.57 g/mol, XLogP of 4.29, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enoxy]-(4-methylpentoxy)-diphenylsilane is sourced from PubChem (CID 91732591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).