3,4-dimethylhex-5-enyl(triethoxy)silane

C14H30O3Si — CID 87112404

IUPAC3,4-dimethylhex-5-enyl(triethoxy)silane
SMILESC=CC(C)C(C)CC[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H30O3Si/c1-7-13(5)14(6)11-12-18(15-8-2,16-9-3)17-10-4/h7,13-14H,1,8-12H2,2-6H3
InChIKeyAFLJXFQAEPDDBW-UHFFFAOYSA-N
MW274.48 g/mol
LogP3.88
Rot. Bonds11

About 3,4-dimethylhex-5-enyl(triethoxy)silane

3,4-dimethylhex-5-enyl(triethoxy)silane (PubChem CID 87112404) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is 3,4-dimethylhex-5-enyl(triethoxy)silane.

Molecular Properties

Compound Name3,4-dimethylhex-5-enyl(triethoxy)silane
PubChem CID87112404
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name3,4-dimethylhex-5-enyl(triethoxy)silane
SMILESC=CC(C)C(C)CC[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H30O3Si/c1-7-13(5)14(6)11-12-18(15-8-2,16-9-3)17-10-4/h7,13-14H,1,8-12H2,2-6H3
InChIKeyAFLJXFQAEPDDBW-UHFFFAOYSA-N
XLogP3.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,4-dimethylhex-5-enyl(triethoxy)silane 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 3,4-dimethylhex-5-enyl(triethoxy)silane?
The IUPAC name of 3,4-dimethylhex-5-enyl(triethoxy)silane (CID 87112404) is 3,4-dimethylhex-5-enyl(triethoxy)silane.
What is the SMILES notation for 3,4-dimethylhex-5-enyl(triethoxy)silane?
The canonical SMILES for 3,4-dimethylhex-5-enyl(triethoxy)silane is C=CC(C)C(C)CC[Si](OCC)(OCC)OCC.
What is the InChIKey of 3,4-dimethylhex-5-enyl(triethoxy)silane?
The InChIKey is AFLJXFQAEPDDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-7-13(5)14(6)11-12-18(15-8-2,16-9-3)17-10-4/h7,13-14H,1,8-12H2,2-6H3.
What are the key properties of 3,4-dimethylhex-5-enyl(triethoxy)silane?
3,4-dimethylhex-5-enyl(triethoxy)silane has a molecular weight of 274.48 g/mol, XLogP of 3.88, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylhex-5-enyl(triethoxy)silane is sourced from PubChem (CID 87112404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).