heptoxy-dimethyl-[(E)-non-3-enoxy]silane

C18H38O2Si — CID 91733312

IUPACheptoxy-dimethyl-[(E)-non-3-enoxy]silane
SMILESCCCCC/C=C/CCO[Si](C)(C)OCCCCCCC
InChIInChI=1S/C18H38O2Si/c1-5-7-9-11-12-14-16-18-20-21(3,4)19-17-15-13-10-8-6-2/h12,14H,5-11,13,15-18H2,1-4H3/b14-12+
InChIKeyZNGINYCPAZRYRW-WYMLVPIESA-N
MW314.59 g/mol
LogP6.22
Rot. Bonds15

About heptoxy-dimethyl-[(E)-non-3-enoxy]silane

heptoxy-dimethyl-[(E)-non-3-enoxy]silane (PubChem CID 91733312) has the molecular formula C18H38O2Si and a molecular weight of 314.59 g/mol. Its IUPAC name is heptoxy-dimethyl-[(E)-non-3-enoxy]silane.

Molecular Properties

Compound Nameheptoxy-dimethyl-[(E)-non-3-enoxy]silane
PubChem CID91733312
Molecular FormulaC18H38O2Si
Molecular Weight314.59 g/mol
Exact Mass314.26
IUPAC Nameheptoxy-dimethyl-[(E)-non-3-enoxy]silane
SMILESCCCCC/C=C/CCO[Si](C)(C)OCCCCCCC
InChIInChI=1S/C18H38O2Si/c1-5-7-9-11-12-14-16-18-20-21(3,4)19-17-15-13-10-8-6-2/h12,14H,5-11,13,15-18H2,1-4H3/b14-12+
InChIKeyZNGINYCPAZRYRW-WYMLVPIESA-N
XLogP6.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.59
LogP ≤ 56.22
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 heptoxy-dimethyl-[(E)-non-3-enoxy]silane?
The IUPAC name of heptoxy-dimethyl-[(E)-non-3-enoxy]silane (CID 91733312) is heptoxy-dimethyl-[(E)-non-3-enoxy]silane.
What is the SMILES notation for heptoxy-dimethyl-[(E)-non-3-enoxy]silane?
The canonical SMILES for heptoxy-dimethyl-[(E)-non-3-enoxy]silane is CCCCC/C=C/CCO[Si](C)(C)OCCCCCCC.
What is the InChIKey of heptoxy-dimethyl-[(E)-non-3-enoxy]silane?
The InChIKey is ZNGINYCPAZRYRW-WYMLVPIESA-N. The full InChI is InChI=1S/C18H38O2Si/c1-5-7-9-11-12-14-16-18-20-21(3,4)19-17-15-13-10-8-6-2/h12,14H,5-11,13,15-18H2,1-4H3/b14-12+.
What are the key properties of heptoxy-dimethyl-[(E)-non-3-enoxy]silane?
heptoxy-dimethyl-[(E)-non-3-enoxy]silane has a molecular weight of 314.59 g/mol, XLogP of 6.22, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptoxy-dimethyl-[(E)-non-3-enoxy]silane is sourced from PubChem (CID 91733312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).