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

C34H54O2Si — CID 91732636

IUPACoctoxy-diphenyl-[(E)-tetradec-3-enoxy]silane
SMILESCCCCCCCCCC/C=C/CCO[Si](OCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H54O2Si/c1-3-5-7-9-11-12-13-14-15-16-18-26-32-36-37(33-27-21-19-22-28-33,34-29-23-20-24-30-34)35-31-25-17-10-8-6-4-2/h16,18-24,27-30H,3-15,17,25-26,31-32H2,1-2H3/b18-16+
InChIKeyDTEDARHKUCCNHD-FBMGVBCBSA-N
MW522.89 g/mol
LogP9.11
Rot. Bonds23

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

octoxy-diphenyl-[(E)-tetradec-3-enoxy]silane (PubChem CID 91732636) has the molecular formula C34H54O2Si and a molecular weight of 522.89 g/mol. Its IUPAC name is octoxy-diphenyl-[(E)-tetradec-3-enoxy]silane.

Molecular Properties

Compound Nameoctoxy-diphenyl-[(E)-tetradec-3-enoxy]silane
PubChem CID91732636
Molecular FormulaC34H54O2Si
Molecular Weight522.89 g/mol
Exact Mass522.39
IUPAC Nameoctoxy-diphenyl-[(E)-tetradec-3-enoxy]silane
SMILESCCCCCCCCCC/C=C/CCO[Si](OCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H54O2Si/c1-3-5-7-9-11-12-13-14-15-16-18-26-32-36-37(33-27-21-19-22-28-33,34-29-23-20-24-30-34)35-31-25-17-10-8-6-4-2/h16,18-24,27-30H,3-15,17,25-26,31-32H2,1-2H3/b18-16+
InChIKeyDTEDARHKUCCNHD-FBMGVBCBSA-N
XLogP9.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.89
LogP ≤ 59.11
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 octoxy-diphenyl-[(E)-tetradec-3-enoxy]silane?
The IUPAC name of octoxy-diphenyl-[(E)-tetradec-3-enoxy]silane (CID 91732636) is octoxy-diphenyl-[(E)-tetradec-3-enoxy]silane.
What is the SMILES notation for octoxy-diphenyl-[(E)-tetradec-3-enoxy]silane?
The canonical SMILES for octoxy-diphenyl-[(E)-tetradec-3-enoxy]silane is CCCCCCCCCC/C=C/CCO[Si](OCCCCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of octoxy-diphenyl-[(E)-tetradec-3-enoxy]silane?
The InChIKey is DTEDARHKUCCNHD-FBMGVBCBSA-N. The full InChI is InChI=1S/C34H54O2Si/c1-3-5-7-9-11-12-13-14-15-16-18-26-32-36-37(33-27-21-19-22-28-33,34-29-23-20-24-30-34)35-31-25-17-10-8-6-4-2/h16,18-24,27-30H,3-15,17,25-26,31-32H2,1-2H3/b18-16+.
What are the key properties of octoxy-diphenyl-[(E)-tetradec-3-enoxy]silane?
octoxy-diphenyl-[(E)-tetradec-3-enoxy]silane has a molecular weight of 522.89 g/mol, XLogP of 9.11, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octoxy-diphenyl-[(E)-tetradec-3-enoxy]silane is sourced from PubChem (CID 91732636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).