[(1E)-3-butoxybuta-1,3-dienoxy]-tri(propan-2-yl)silane

C17H34O2Si — CID 19873323

IUPAC[(1E)-3-butoxybuta-1,3-dienoxy]-tri(propan-2-yl)silane
SMILESC=C(/C=C/O[Si](C(C)C)(C(C)C)C(C)C)OCCCC
InChIInChI=1S/C17H34O2Si/c1-9-10-12-18-17(8)11-13-19-20(14(2)3,15(4)5)16(6)7/h11,13-16H,8-10,12H2,1-7H3/b13-11+
InChIKeyREZRKWIDIFWJKI-ACCUITESSA-N
MW298.54 g/mol
LogP6.02
Rot. Bonds10

About [(1E)-3-butoxybuta-1,3-dienoxy]-tri(propan-2-yl)silane

[(1E)-3-butoxybuta-1,3-dienoxy]-tri(propan-2-yl)silane (PubChem CID 19873323) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is [(1E)-3-butoxybuta-1,3-dienoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1E)-3-butoxybuta-1,3-dienoxy]-tri(propan-2-yl)silane
PubChem CID19873323
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name[(1E)-3-butoxybuta-1,3-dienoxy]-tri(propan-2-yl)silane
SMILESC=C(/C=C/O[Si](C(C)C)(C(C)C)C(C)C)OCCCC
InChIInChI=1S/C17H34O2Si/c1-9-10-12-18-17(8)11-13-19-20(14(2)3,15(4)5)16(6)7/h11,13-16H,8-10,12H2,1-7H3/b13-11+
InChIKeyREZRKWIDIFWJKI-ACCUITESSA-N
XLogP6.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(1E)-3-butoxybuta-1,3-dienoxy]-tri(propan-2-yl)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 [(1E)-3-butoxybuta-1,3-dienoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(1E)-3-butoxybuta-1,3-dienoxy]-tri(propan-2-yl)silane (CID 19873323) is [(1E)-3-butoxybuta-1,3-dienoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(1E)-3-butoxybuta-1,3-dienoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(1E)-3-butoxybuta-1,3-dienoxy]-tri(propan-2-yl)silane is C=C(/C=C/O[Si](C(C)C)(C(C)C)C(C)C)OCCCC.
What is the InChIKey of [(1E)-3-butoxybuta-1,3-dienoxy]-tri(propan-2-yl)silane?
The InChIKey is REZRKWIDIFWJKI-ACCUITESSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-9-10-12-18-17(8)11-13-19-20(14(2)3,15(4)5)16(6)7/h11,13-16H,8-10,12H2,1-7H3/b13-11+.
What are the key properties of [(1E)-3-butoxybuta-1,3-dienoxy]-tri(propan-2-yl)silane?
[(1E)-3-butoxybuta-1,3-dienoxy]-tri(propan-2-yl)silane has a molecular weight of 298.54 g/mol, XLogP of 6.02, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-3-butoxybuta-1,3-dienoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 19873323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).