1,1,2-trimethoxyhept-6-enylsilane

C10H22O3Si — CID 174605229

IUPAC1,1,2-trimethoxyhept-6-enylsilane
SMILESC=CCCCC(OC)C([SiH3])(OC)OC
InChIInChI=1S/C10H22O3Si/c1-5-6-7-8-9(11-2)10(14,12-3)13-4/h5,9H,1,6-8H2,2-4,14H3
InChIKeyLWBIKWSDELMKJR-UHFFFAOYSA-N
MW218.37 g/mol
LogP0.67
Rot. Bonds8

About 1,1,2-trimethoxyhept-6-enylsilane

1,1,2-trimethoxyhept-6-enylsilane (PubChem CID 174605229) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is 1,1,2-trimethoxyhept-6-enylsilane.

Molecular Properties

Compound Name1,1,2-trimethoxyhept-6-enylsilane
PubChem CID174605229
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Name1,1,2-trimethoxyhept-6-enylsilane
SMILESC=CCCCC(OC)C([SiH3])(OC)OC
InChIInChI=1S/C10H22O3Si/c1-5-6-7-8-9(11-2)10(14,12-3)13-4/h5,9H,1,6-8H2,2-4,14H3
InChIKeyLWBIKWSDELMKJR-UHFFFAOYSA-N
XLogP0.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,1,2-trimethoxyhept-6-enylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethoxyhept-6-enylsilane?
The IUPAC name of 1,1,2-trimethoxyhept-6-enylsilane (CID 174605229) is 1,1,2-trimethoxyhept-6-enylsilane.
What is the SMILES notation for 1,1,2-trimethoxyhept-6-enylsilane?
The canonical SMILES for 1,1,2-trimethoxyhept-6-enylsilane is C=CCCCC(OC)C([SiH3])(OC)OC.
What is the InChIKey of 1,1,2-trimethoxyhept-6-enylsilane?
The InChIKey is LWBIKWSDELMKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3Si/c1-5-6-7-8-9(11-2)10(14,12-3)13-4/h5,9H,1,6-8H2,2-4,14H3.
What are the key properties of 1,1,2-trimethoxyhept-6-enylsilane?
1,1,2-trimethoxyhept-6-enylsilane has a molecular weight of 218.37 g/mol, XLogP of 0.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethoxyhept-6-enylsilane is sourced from PubChem (CID 174605229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).