[(E)-but-2-enoxy]-heptoxy-dimethylsilane

C13H28O2Si — CID 91697267

IUPAC[(E)-but-2-enoxy]-heptoxy-dimethylsilane
SMILESC/C=C/CO[Si](C)(C)OCCCCCCC
InChIInChI=1S/C13H28O2Si/c1-5-7-9-10-11-13-15-16(3,4)14-12-8-6-2/h6,8H,5,7,9-13H2,1-4H3/b8-6+
InChIKeyLNWCPWKAEZYHOH-SOFGYWHQSA-N
MW244.45 g/mol
LogP4.27
Rot. Bonds10

About [(E)-but-2-enoxy]-heptoxy-dimethylsilane

[(E)-but-2-enoxy]-heptoxy-dimethylsilane (PubChem CID 91697267) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is [(E)-but-2-enoxy]-heptoxy-dimethylsilane.

Molecular Properties

Compound Name[(E)-but-2-enoxy]-heptoxy-dimethylsilane
PubChem CID91697267
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name[(E)-but-2-enoxy]-heptoxy-dimethylsilane
SMILESC/C=C/CO[Si](C)(C)OCCCCCCC
InChIInChI=1S/C13H28O2Si/c1-5-7-9-10-11-13-15-16(3,4)14-12-8-6-2/h6,8H,5,7,9-13H2,1-4H3/b8-6+
InChIKeyLNWCPWKAEZYHOH-SOFGYWHQSA-N
XLogP4.27
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 ≤ 54.27
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 [(E)-but-2-enoxy]-heptoxy-dimethylsilane?
The IUPAC name of [(E)-but-2-enoxy]-heptoxy-dimethylsilane (CID 91697267) is [(E)-but-2-enoxy]-heptoxy-dimethylsilane.
What is the SMILES notation for [(E)-but-2-enoxy]-heptoxy-dimethylsilane?
The canonical SMILES for [(E)-but-2-enoxy]-heptoxy-dimethylsilane is C/C=C/CO[Si](C)(C)OCCCCCCC.
What is the InChIKey of [(E)-but-2-enoxy]-heptoxy-dimethylsilane?
The InChIKey is LNWCPWKAEZYHOH-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-5-7-9-10-11-13-15-16(3,4)14-12-8-6-2/h6,8H,5,7,9-13H2,1-4H3/b8-6+.
What are the key properties of [(E)-but-2-enoxy]-heptoxy-dimethylsilane?
[(E)-but-2-enoxy]-heptoxy-dimethylsilane has a molecular weight of 244.45 g/mol, XLogP of 4.27, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enoxy]-heptoxy-dimethylsilane is sourced from PubChem (CID 91697267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).