heptoxy-[(E)-non-3-enoxy]-diphenylsilane

C28H42O2Si — CID 91741470

IUPACheptoxy-[(E)-non-3-enoxy]-diphenylsilane
SMILESCCCCC/C=C/CCO[Si](OCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H42O2Si/c1-3-5-7-9-10-12-20-26-30-31(27-21-15-13-16-22-27,28-23-17-14-18-24-28)29-25-19-11-8-6-4-2/h10,12-18,21-24H,3-9,11,19-20,25-26H2,1-2H3/b12-10+
InChIKeyCEATUSXSWQGBCN-ZRDIBKRKSA-N
MW438.73 g/mol
LogP6.77
Rot. Bonds17

About heptoxy-[(E)-non-3-enoxy]-diphenylsilane

heptoxy-[(E)-non-3-enoxy]-diphenylsilane (PubChem CID 91741470) has the molecular formula C28H42O2Si and a molecular weight of 438.73 g/mol. Its IUPAC name is heptoxy-[(E)-non-3-enoxy]-diphenylsilane.

Molecular Properties

Compound Nameheptoxy-[(E)-non-3-enoxy]-diphenylsilane
PubChem CID91741470
Molecular FormulaC28H42O2Si
Molecular Weight438.73 g/mol
Exact Mass438.30
IUPAC Nameheptoxy-[(E)-non-3-enoxy]-diphenylsilane
SMILESCCCCC/C=C/CCO[Si](OCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H42O2Si/c1-3-5-7-9-10-12-20-26-30-31(27-21-15-13-16-22-27,28-23-17-14-18-24-28)29-25-19-11-8-6-4-2/h10,12-18,21-24H,3-9,11,19-20,25-26H2,1-2H3/b12-10+
InChIKeyCEATUSXSWQGBCN-ZRDIBKRKSA-N
XLogP6.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.73
LogP ≤ 56.77
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 heptoxy-[(E)-non-3-enoxy]-diphenylsilane?
The IUPAC name of heptoxy-[(E)-non-3-enoxy]-diphenylsilane (CID 91741470) is heptoxy-[(E)-non-3-enoxy]-diphenylsilane.
What is the SMILES notation for heptoxy-[(E)-non-3-enoxy]-diphenylsilane?
The canonical SMILES for heptoxy-[(E)-non-3-enoxy]-diphenylsilane is CCCCC/C=C/CCO[Si](OCCCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of heptoxy-[(E)-non-3-enoxy]-diphenylsilane?
The InChIKey is CEATUSXSWQGBCN-ZRDIBKRKSA-N. The full InChI is InChI=1S/C28H42O2Si/c1-3-5-7-9-10-12-20-26-30-31(27-21-15-13-16-22-27,28-23-17-14-18-24-28)29-25-19-11-8-6-4-2/h10,12-18,21-24H,3-9,11,19-20,25-26H2,1-2H3/b12-10+.
What are the key properties of heptoxy-[(E)-non-3-enoxy]-diphenylsilane?
heptoxy-[(E)-non-3-enoxy]-diphenylsilane has a molecular weight of 438.73 g/mol, XLogP of 6.77, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptoxy-[(E)-non-3-enoxy]-diphenylsilane is sourced from PubChem (CID 91741470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).