(4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane

C12H25ClO3Si2 — CID 74340656

IUPAC(4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane
SMILESCCOC(=CC(=CCl)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H25ClO3Si2/c1-8-14-12(16-18(5,6)7)9-11(10-13)15-17(2,3)4/h9-10H,8H2,1-7H3
InChIKeyOBDBKXXOPIGLOS-UHFFFAOYSA-N
MW308.95 g/mol
LogP4.65
Rot. Bonds7

About (4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane

(4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane (PubChem CID 74340656) has the molecular formula C12H25ClO3Si2 and a molecular weight of 308.95 g/mol. Its IUPAC name is (4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane.

Molecular Properties

Compound Name(4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane
PubChem CID74340656
Molecular FormulaC12H25ClO3Si2
Molecular Weight308.95 g/mol
Exact Mass308.10
IUPAC Name(4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane
SMILESCCOC(=CC(=CCl)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H25ClO3Si2/c1-8-14-12(16-18(5,6)7)9-11(10-13)15-17(2,3)4/h9-10H,8H2,1-7H3
InChIKeyOBDBKXXOPIGLOS-UHFFFAOYSA-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'}

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Related Compounds

[(1E)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 11196611
[(1Z)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 11380327
[(1E)-2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 25034386
[(1Z,3Z)-4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 44607061
(4-Chloro-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane
CID 74335677
4-Chloro-1-ethoxy-1,3-bis(silyloxy)-1,3-butadiene
CID 129839583
(2-Chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane
CID 134859488
[(3Z)-4-chloro-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 138969548
[(3E)-4-chloro-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 138969726
[(3Z)-4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 138970524
trimethyl-[(1Z)-1-propan-2-yloxy-3-trimethylsilyloxybuta-1,3-dienoxy]silane
CID 176421540
trimethyl-[(1E)-1-propan-2-yloxy-3-trimethylsilyloxybuta-1,3-dienoxy]silane
CID 12141707

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane?
The IUPAC name of (4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane (CID 74340656) is (4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane.
What is the SMILES notation for (4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane?
The canonical SMILES for (4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane is CCOC(=CC(=CCl)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of (4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane?
The InChIKey is OBDBKXXOPIGLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClO3Si2/c1-8-14-12(16-18(5,6)7)9-11(10-13)15-17(2,3)4/h9-10H,8H2,1-7H3.
What are the key properties of (4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane?
(4-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 (4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane is sourced from PubChem (CID 74340656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).