[(1E)-2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane

C12H25ClO3Si2 — CID 25034386

IUPAC[(1E)-2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
SMILESC=C(O[Si](C)(C)C)/C(Cl)=C(/OCC)O[Si](C)(C)C
InChIInChI=1S/C12H25ClO3Si2/c1-9-14-12(16-18(6,7)8)11(13)10(2)15-17(3,4)5/h2,9H2,1,3-8H3/b12-11+
InChIKeyXDQMERBEVSVOOO-VAWYXSNFSA-N
MW308.95 g/mol
LogP4.65
Rot. Bonds7

About [(1E)-2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane

[(1E)-2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane (PubChem CID 25034386) has the molecular formula C12H25ClO3Si2 and a molecular weight of 308.95 g/mol. Its IUPAC name is [(1E)-2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1E)-2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
PubChem CID25034386
Molecular FormulaC12H25ClO3Si2
Molecular Weight308.95 g/mol
Exact Mass308.10
IUPAC Name[(1E)-2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
SMILESC=C(O[Si](C)(C)C)/C(Cl)=C(/OCC)O[Si](C)(C)C
InChIInChI=1S/C12H25ClO3Si2/c1-9-14-12(16-18(6,7)8)11(13)10(2)15-17(3,4)5/h2,9H2,1,3-8H3/b12-11+
InChIKeyXDQMERBEVSVOOO-VAWYXSNFSA-N
XLogP4.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.95
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1E)-2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane with MolForge

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

Launch Full Analysis

Related Compounds

[(1E)-1-ethoxy-2-fluoro-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 46184501
(1-Ethoxy-2-fluoro-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane
CID 75165877
[(1E)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 11196611
[(1Z)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 11380327
[(1Z,3Z)-4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 44607061
4-Chloro-1-ethoxy-1,3-bis(trimethylsilyloxy)-1,3-butadiene
CID 74340656
[(1E)-1-ethoxy-2-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 102524382
(2-Chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane
CID 134859488
[(3Z)-4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 138970524
[(1Z)-1-ethoxy-2-fluoro-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 102519993
1,3-Bis(trimethylsiloxy)-1-ethoxybuta-1,3-diene
CID 72824542
trimethyl-[(1Z)-1-propoxy-3-trimethylsilyloxybuta-1,3-dienoxy]silane
CID 140795482

Frequently Asked Questions

What is the IUPAC name of [(1E)-2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane?
The IUPAC name of [(1E)-2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane (CID 25034386) is [(1E)-2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane.
What is the SMILES notation for [(1E)-2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane?
The canonical SMILES for [(1E)-2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane is C=C(O[Si](C)(C)C)/C(Cl)=C(/OCC)O[Si](C)(C)C.
What is the InChIKey of [(1E)-2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane?
The InChIKey is XDQMERBEVSVOOO-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H25ClO3Si2/c1-9-14-12(16-18(6,7)8)11(13)10(2)15-17(3,4)5/h2,9H2,1,3-8H3/b12-11+.
What are the key properties of [(1E)-2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane?
[(1E)-2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane has a molecular weight of 308.95 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane is sourced from PubChem (CID 25034386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).