triethyl-[(2E)-3-methyldodeca-2,4,5-trien-4-yl]oxysilane

C19H36OSi — CID 46895365

IUPACtriethyl-[(2E)-3-methyldodeca-2,4,5-trien-4-yl]oxysilane
SMILESC/C=C(\C)C(=C=CCCCCCC)O[Si](CC)(CC)CC
InChIInChI=1S/C19H36OSi/c1-7-12-13-14-15-16-17-19(18(6)8-2)20-21(9-3,10-4)11-5/h8,16H,7,9-15H2,1-6H3/b18-8+
InChIKeyPGZKNIMCXAIVRQ-QGMBQPNBSA-N
MW308.58 g/mol
LogP6.98
Rot. Bonds11

About triethyl-[(2E)-3-methyldodeca-2,4,5-trien-4-yl]oxysilane

triethyl-[(2E)-3-methyldodeca-2,4,5-trien-4-yl]oxysilane (PubChem CID 46895365) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is triethyl-[(2E)-3-methyldodeca-2,4,5-trien-4-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(2E)-3-methyldodeca-2,4,5-trien-4-yl]oxysilane
PubChem CID46895365
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Nametriethyl-[(2E)-3-methyldodeca-2,4,5-trien-4-yl]oxysilane
SMILESC/C=C(\C)C(=C=CCCCCCC)O[Si](CC)(CC)CC
InChIInChI=1S/C19H36OSi/c1-7-12-13-14-15-16-17-19(18(6)8-2)20-21(9-3,10-4)11-5/h8,16H,7,9-15H2,1-6H3/b18-8+
InChIKeyPGZKNIMCXAIVRQ-QGMBQPNBSA-N
XLogP6.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze triethyl-[(2E)-3-methyldodeca-2,4,5-trien-4-yl]oxysilane 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 triethyl-[(2E)-3-methyldodeca-2,4,5-trien-4-yl]oxysilane?
The IUPAC name of triethyl-[(2E)-3-methyldodeca-2,4,5-trien-4-yl]oxysilane (CID 46895365) is triethyl-[(2E)-3-methyldodeca-2,4,5-trien-4-yl]oxysilane.
What is the SMILES notation for triethyl-[(2E)-3-methyldodeca-2,4,5-trien-4-yl]oxysilane?
The canonical SMILES for triethyl-[(2E)-3-methyldodeca-2,4,5-trien-4-yl]oxysilane is C/C=C(\C)C(=C=CCCCCCC)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(2E)-3-methyldodeca-2,4,5-trien-4-yl]oxysilane?
The InChIKey is PGZKNIMCXAIVRQ-QGMBQPNBSA-N. The full InChI is InChI=1S/C19H36OSi/c1-7-12-13-14-15-16-17-19(18(6)8-2)20-21(9-3,10-4)11-5/h8,16H,7,9-15H2,1-6H3/b18-8+.
What are the key properties of triethyl-[(2E)-3-methyldodeca-2,4,5-trien-4-yl]oxysilane?
triethyl-[(2E)-3-methyldodeca-2,4,5-trien-4-yl]oxysilane has a molecular weight of 308.58 g/mol, XLogP of 6.98, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2E)-3-methyldodeca-2,4,5-trien-4-yl]oxysilane is sourced from PubChem (CID 46895365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).