tert-butyl-dimethyl-[[4-[[(E)-tridec-2-enoxy]methyl]phenyl]methoxy]silane

C27H48O2Si — CID 10717621

IUPACtert-butyl-dimethyl-[[4-[[(E)-tridec-2-enoxy]methyl]phenyl]methoxy]silane
SMILESCCCCCCCCCC/C=C/COCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C27H48O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-22-28-23-25-18-20-26(21-19-25)24-29-30(5,6)27(2,3)4/h16-21H,7-15,22-24H2,1-6H3/b17-16+
InChIKeyOEFKBYXMEHKNGT-WUKNDPDISA-N
MW432.77 g/mol
LogP8.81
Rot. Bonds16

About tert-butyl-dimethyl-[[4-[[(E)-tridec-2-enoxy]methyl]phenyl]methoxy]silane

tert-butyl-dimethyl-[[4-[[(E)-tridec-2-enoxy]methyl]phenyl]methoxy]silane (PubChem CID 10717621) has the molecular formula C27H48O2Si and a molecular weight of 432.77 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[4-[[(E)-tridec-2-enoxy]methyl]phenyl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[4-[[(E)-tridec-2-enoxy]methyl]phenyl]methoxy]silane
PubChem CID10717621
Molecular FormulaC27H48O2Si
Molecular Weight432.77 g/mol
Exact Mass432.34
IUPAC Nametert-butyl-dimethyl-[[4-[[(E)-tridec-2-enoxy]methyl]phenyl]methoxy]silane
SMILESCCCCCCCCCC/C=C/COCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C27H48O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-22-28-23-25-18-20-26(21-19-25)24-29-30(5,6)27(2,3)4/h16-21H,7-15,22-24H2,1-6H3/b17-16+
InChIKeyOEFKBYXMEHKNGT-WUKNDPDISA-N
XLogP8.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.77
LogP ≤ 58.81
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 tert-butyl-dimethyl-[[4-[[(E)-tridec-2-enoxy]methyl]phenyl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[4-[[(E)-tridec-2-enoxy]methyl]phenyl]methoxy]silane (CID 10717621) is tert-butyl-dimethyl-[[4-[[(E)-tridec-2-enoxy]methyl]phenyl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[4-[[(E)-tridec-2-enoxy]methyl]phenyl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[4-[[(E)-tridec-2-enoxy]methyl]phenyl]methoxy]silane is CCCCCCCCCC/C=C/COCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-dimethyl-[[4-[[(E)-tridec-2-enoxy]methyl]phenyl]methoxy]silane?
The InChIKey is OEFKBYXMEHKNGT-WUKNDPDISA-N. The full InChI is InChI=1S/C27H48O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-22-28-23-25-18-20-26(21-19-25)24-29-30(5,6)27(2,3)4/h16-21H,7-15,22-24H2,1-6H3/b17-16+.
What are the key properties of tert-butyl-dimethyl-[[4-[[(E)-tridec-2-enoxy]methyl]phenyl]methoxy]silane?
tert-butyl-dimethyl-[[4-[[(E)-tridec-2-enoxy]methyl]phenyl]methoxy]silane has a molecular weight of 432.77 g/mol, XLogP of 8.81, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[4-[[(E)-tridec-2-enoxy]methyl]phenyl]methoxy]silane is sourced from PubChem (CID 10717621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).