diethoxy-methyl-[(E)-oct-1-enyl]silane

C13H28O2Si — CID 13225408

IUPACdiethoxy-methyl-[(E)-oct-1-enyl]silane
SMILESCCCCCC/C=C/[Si](C)(OCC)OCC
InChIInChI=1S/C13H28O2Si/c1-5-8-9-10-11-12-13-16(4,14-6-2)15-7-3/h12-13H,5-11H2,1-4H3/b13-12+
InChIKeyCPYYVYWOZPWKSS-OUKQBFOZSA-N
MW244.45 g/mol
LogP4.20
Rot. Bonds10

About diethoxy-methyl-[(E)-oct-1-enyl]silane

diethoxy-methyl-[(E)-oct-1-enyl]silane (PubChem CID 13225408) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is diethoxy-methyl-[(E)-oct-1-enyl]silane.

Molecular Properties

Compound Namediethoxy-methyl-[(E)-oct-1-enyl]silane
PubChem CID13225408
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Namediethoxy-methyl-[(E)-oct-1-enyl]silane
SMILESCCCCCC/C=C/[Si](C)(OCC)OCC
InChIInChI=1S/C13H28O2Si/c1-5-8-9-10-11-12-13-16(4,14-6-2)15-7-3/h12-13H,5-11H2,1-4H3/b13-12+
InChIKeyCPYYVYWOZPWKSS-OUKQBFOZSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.20
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'}

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Frequently Asked Questions

What is the IUPAC name of diethoxy-methyl-[(E)-oct-1-enyl]silane?
The IUPAC name of diethoxy-methyl-[(E)-oct-1-enyl]silane (CID 13225408) is diethoxy-methyl-[(E)-oct-1-enyl]silane.
What is the SMILES notation for diethoxy-methyl-[(E)-oct-1-enyl]silane?
The canonical SMILES for diethoxy-methyl-[(E)-oct-1-enyl]silane is CCCCCC/C=C/[Si](C)(OCC)OCC.
What is the InChIKey of diethoxy-methyl-[(E)-oct-1-enyl]silane?
The InChIKey is CPYYVYWOZPWKSS-OUKQBFOZSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-5-8-9-10-11-12-13-16(4,14-6-2)15-7-3/h12-13H,5-11H2,1-4H3/b13-12+.
What are the key properties of diethoxy-methyl-[(E)-oct-1-enyl]silane?
diethoxy-methyl-[(E)-oct-1-enyl]silane has a molecular weight of 244.45 g/mol, XLogP of 4.20, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-methyl-[(E)-oct-1-enyl]silane is sourced from PubChem (CID 13225408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).