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

C35H56O2Si — CID 91732639

IUPACnonoxy-diphenyl-[(E)-tetradec-3-enoxy]silane
SMILESCCCCCCCCCC/C=C/CCO[Si](OCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H56O2Si/c1-3-5-7-9-11-12-13-14-15-17-19-27-33-37-38(34-28-22-20-23-29-34,35-30-24-21-25-31-35)36-32-26-18-16-10-8-6-4-2/h17,19-25,28-31H,3-16,18,26-27,32-33H2,1-2H3/b19-17+
InChIKeyLIOXUFFCEFDMPP-HTXNQAPBSA-N
MW536.92 g/mol
LogP9.50
Rot. Bonds24

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

nonoxy-diphenyl-[(E)-tetradec-3-enoxy]silane (PubChem CID 91732639) has the molecular formula C35H56O2Si and a molecular weight of 536.92 g/mol. Its IUPAC name is nonoxy-diphenyl-[(E)-tetradec-3-enoxy]silane.

Molecular Properties

Compound Namenonoxy-diphenyl-[(E)-tetradec-3-enoxy]silane
PubChem CID91732639
Molecular FormulaC35H56O2Si
Molecular Weight536.92 g/mol
Exact Mass536.40
IUPAC Namenonoxy-diphenyl-[(E)-tetradec-3-enoxy]silane
SMILESCCCCCCCCCC/C=C/CCO[Si](OCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H56O2Si/c1-3-5-7-9-11-12-13-14-15-17-19-27-33-37-38(34-28-22-20-23-29-34,35-30-24-21-25-31-35)36-32-26-18-16-10-8-6-4-2/h17,19-25,28-31H,3-16,18,26-27,32-33H2,1-2H3/b19-17+
InChIKeyLIOXUFFCEFDMPP-HTXNQAPBSA-N
XLogP9.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.92
LogP ≤ 59.50
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 nonoxy-diphenyl-[(E)-tetradec-3-enoxy]silane?
The IUPAC name of nonoxy-diphenyl-[(E)-tetradec-3-enoxy]silane (CID 91732639) is nonoxy-diphenyl-[(E)-tetradec-3-enoxy]silane.
What is the SMILES notation for nonoxy-diphenyl-[(E)-tetradec-3-enoxy]silane?
The canonical SMILES for nonoxy-diphenyl-[(E)-tetradec-3-enoxy]silane is CCCCCCCCCC/C=C/CCO[Si](OCCCCCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of nonoxy-diphenyl-[(E)-tetradec-3-enoxy]silane?
The InChIKey is LIOXUFFCEFDMPP-HTXNQAPBSA-N. The full InChI is InChI=1S/C35H56O2Si/c1-3-5-7-9-11-12-13-14-15-17-19-27-33-37-38(34-28-22-20-23-29-34,35-30-24-21-25-31-35)36-32-26-18-16-10-8-6-4-2/h17,19-25,28-31H,3-16,18,26-27,32-33H2,1-2H3/b19-17+.
What are the key properties of nonoxy-diphenyl-[(E)-tetradec-3-enoxy]silane?
nonoxy-diphenyl-[(E)-tetradec-3-enoxy]silane has a molecular weight of 536.92 g/mol, XLogP of 9.50, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonoxy-diphenyl-[(E)-tetradec-3-enoxy]silane is sourced from PubChem (CID 91732639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).