diethoxy-hept-1-en-2-yl-methylsilane

C12H26O2Si — CID 12014236

IUPACdiethoxy-hept-1-en-2-yl-methylsilane
SMILESC=C(CCCCC)[Si](C)(OCC)OCC
InChIInChI=1S/C12H26O2Si/c1-6-9-10-11-12(4)15(5,13-7-2)14-8-3/h4,6-11H2,1-3,5H3
InChIKeyVEPQYRTZDJIOKX-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.81
Rot. Bonds9

About diethoxy-hept-1-en-2-yl-methylsilane

diethoxy-hept-1-en-2-yl-methylsilane (PubChem CID 12014236) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is diethoxy-hept-1-en-2-yl-methylsilane.

Molecular Properties

Compound Namediethoxy-hept-1-en-2-yl-methylsilane
PubChem CID12014236
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Namediethoxy-hept-1-en-2-yl-methylsilane
SMILESC=C(CCCCC)[Si](C)(OCC)OCC
InChIInChI=1S/C12H26O2Si/c1-6-9-10-11-12(4)15(5,13-7-2)14-8-3/h4,6-11H2,1-3,5H3
InChIKeyVEPQYRTZDJIOKX-UHFFFAOYSA-N
XLogP3.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.81
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'}

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Frequently Asked Questions

What is the IUPAC name of diethoxy-hept-1-en-2-yl-methylsilane?
The IUPAC name of diethoxy-hept-1-en-2-yl-methylsilane (CID 12014236) is diethoxy-hept-1-en-2-yl-methylsilane.
What is the SMILES notation for diethoxy-hept-1-en-2-yl-methylsilane?
The canonical SMILES for diethoxy-hept-1-en-2-yl-methylsilane is C=C(CCCCC)[Si](C)(OCC)OCC.
What is the InChIKey of diethoxy-hept-1-en-2-yl-methylsilane?
The InChIKey is VEPQYRTZDJIOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-6-9-10-11-12(4)15(5,13-7-2)14-8-3/h4,6-11H2,1-3,5H3.
What are the key properties of diethoxy-hept-1-en-2-yl-methylsilane?
diethoxy-hept-1-en-2-yl-methylsilane has a molecular weight of 230.42 g/mol, XLogP of 3.81, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-hept-1-en-2-yl-methylsilane is sourced from PubChem (CID 12014236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).