3-[(2E,4E)-hexa-2,4-dienoxy]propyl-trimethoxysilane

C12H24O4Si — CID 87149036

IUPAC3-[(2E,4E)-hexa-2,4-dienoxy]propyl-trimethoxysilane
SMILESC/C=C/C=C/COCCC[Si](OC)(OC)OC
InChIInChI=1S/C12H24O4Si/c1-5-6-7-8-10-16-11-9-12-17(13-2,14-3)15-4/h5-8H,9-12H2,1-4H3/b6-5+,8-7+
InChIKeySCSZLGTTXLUOFR-BSWSSELBSA-N
MW260.41 g/mol
LogP2.40
Rot. Bonds10

About 3-[(2E,4E)-hexa-2,4-dienoxy]propyl-trimethoxysilane

3-[(2E,4E)-hexa-2,4-dienoxy]propyl-trimethoxysilane (PubChem CID 87149036) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-[(2E,4E)-hexa-2,4-dienoxy]propyl-trimethoxysilane.

Molecular Properties

Compound Name3-[(2E,4E)-hexa-2,4-dienoxy]propyl-trimethoxysilane
PubChem CID87149036
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name3-[(2E,4E)-hexa-2,4-dienoxy]propyl-trimethoxysilane
SMILESC/C=C/C=C/COCCC[Si](OC)(OC)OC
InChIInChI=1S/C12H24O4Si/c1-5-6-7-8-10-16-11-9-12-17(13-2,14-3)15-4/h5-8H,9-12H2,1-4H3/b6-5+,8-7+
InChIKeySCSZLGTTXLUOFR-BSWSSELBSA-N
XLogP2.40
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(2E,4E)-hexa-2,4-dienoxy]propyl-trimethoxysilane 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-[(2E,4E)-hexa-2,4-dienoxy]propyl-trimethoxysilane?
The IUPAC name of 3-[(2E,4E)-hexa-2,4-dienoxy]propyl-trimethoxysilane (CID 87149036) is 3-[(2E,4E)-hexa-2,4-dienoxy]propyl-trimethoxysilane.
What is the SMILES notation for 3-[(2E,4E)-hexa-2,4-dienoxy]propyl-trimethoxysilane?
The canonical SMILES for 3-[(2E,4E)-hexa-2,4-dienoxy]propyl-trimethoxysilane is C/C=C/C=C/COCCC[Si](OC)(OC)OC.
What is the InChIKey of 3-[(2E,4E)-hexa-2,4-dienoxy]propyl-trimethoxysilane?
The InChIKey is SCSZLGTTXLUOFR-BSWSSELBSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-5-6-7-8-10-16-11-9-12-17(13-2,14-3)15-4/h5-8H,9-12H2,1-4H3/b6-5+,8-7+.
What are the key properties of 3-[(2E,4E)-hexa-2,4-dienoxy]propyl-trimethoxysilane?
3-[(2E,4E)-hexa-2,4-dienoxy]propyl-trimethoxysilane has a molecular weight of 260.41 g/mol, XLogP of 2.40, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E,4E)-hexa-2,4-dienoxy]propyl-trimethoxysilane is sourced from PubChem (CID 87149036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).