heptoxy-diphenyl-[(E)-tetradec-3-enoxy]silane

C33H52O2Si — CID 91732633

IUPACheptoxy-diphenyl-[(E)-tetradec-3-enoxy]silane
SMILESCCCCCCCCCC/C=C/CCO[Si](OCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H52O2Si/c1-3-5-7-9-10-11-12-13-14-15-17-25-31-35-36(32-26-20-18-21-27-32,33-28-22-19-23-29-33)34-30-24-16-8-6-4-2/h15,17-23,26-29H,3-14,16,24-25,30-31H2,1-2H3/b17-15+
InChIKeyJLYSSEJYWPWVEQ-BMRADRMJSA-N
MW508.86 g/mol
LogP8.72
Rot. Bonds22

About heptoxy-diphenyl-[(E)-tetradec-3-enoxy]silane

heptoxy-diphenyl-[(E)-tetradec-3-enoxy]silane (PubChem CID 91732633) has the molecular formula C33H52O2Si and a molecular weight of 508.86 g/mol. Its IUPAC name is heptoxy-diphenyl-[(E)-tetradec-3-enoxy]silane.

Molecular Properties

Compound Nameheptoxy-diphenyl-[(E)-tetradec-3-enoxy]silane
PubChem CID91732633
Molecular FormulaC33H52O2Si
Molecular Weight508.86 g/mol
Exact Mass508.37
IUPAC Nameheptoxy-diphenyl-[(E)-tetradec-3-enoxy]silane
SMILESCCCCCCCCCC/C=C/CCO[Si](OCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H52O2Si/c1-3-5-7-9-10-11-12-13-14-15-17-25-31-35-36(32-26-20-18-21-27-32,33-28-22-19-23-29-33)34-30-24-16-8-6-4-2/h15,17-23,26-29H,3-14,16,24-25,30-31H2,1-2H3/b17-15+
InChIKeyJLYSSEJYWPWVEQ-BMRADRMJSA-N
XLogP8.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.86
LogP ≤ 58.72
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-diphenyl-[(E)-tetradec-3-enoxy]silane?
The IUPAC name of heptoxy-diphenyl-[(E)-tetradec-3-enoxy]silane (CID 91732633) is heptoxy-diphenyl-[(E)-tetradec-3-enoxy]silane.
What is the SMILES notation for heptoxy-diphenyl-[(E)-tetradec-3-enoxy]silane?
The canonical SMILES for heptoxy-diphenyl-[(E)-tetradec-3-enoxy]silane is CCCCCCCCCC/C=C/CCO[Si](OCCCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of heptoxy-diphenyl-[(E)-tetradec-3-enoxy]silane?
The InChIKey is JLYSSEJYWPWVEQ-BMRADRMJSA-N. The full InChI is InChI=1S/C33H52O2Si/c1-3-5-7-9-10-11-12-13-14-15-17-25-31-35-36(32-26-20-18-21-27-32,33-28-22-19-23-29-33)34-30-24-16-8-6-4-2/h15,17-23,26-29H,3-14,16,24-25,30-31H2,1-2H3/b17-15+.
What are the key properties of heptoxy-diphenyl-[(E)-tetradec-3-enoxy]silane?
heptoxy-diphenyl-[(E)-tetradec-3-enoxy]silane has a molecular weight of 508.86 g/mol, XLogP of 8.72, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptoxy-diphenyl-[(E)-tetradec-3-enoxy]silane is sourced from PubChem (CID 91732633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).