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

C12H25ClO3Si2 — CID 44607061

IUPAC[(1Z,3Z)-4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
SMILESCCO/C(=C/C(=C/Cl)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/b11-10-,12-9-
InChIKeyOBDBKXXOPIGLOS-BVNLRVGSSA-N
MW308.95 g/mol
LogP4.65
Rot. Bonds7

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

[(1Z,3Z)-4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane (PubChem CID 44607061) has the molecular formula C12H25ClO3Si2 and a molecular weight of 308.95 g/mol. Its IUPAC name is [(1Z,3Z)-4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1Z,3Z)-4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
PubChem CID44607061
Molecular FormulaC12H25ClO3Si2
Molecular Weight308.95 g/mol
Exact Mass308.10
IUPAC Name[(1Z,3Z)-4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
SMILESCCO/C(=C/C(=C/Cl)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/b11-10-,12-9-
InChIKeyOBDBKXXOPIGLOS-BVNLRVGSSA-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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Frequently Asked Questions

What is the IUPAC name of [(1Z,3Z)-4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane?
The IUPAC name of [(1Z,3Z)-4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane (CID 44607061) is [(1Z,3Z)-4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane.
What is the SMILES notation for [(1Z,3Z)-4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane?
The canonical SMILES for [(1Z,3Z)-4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane is CCO/C(=C/C(=C/Cl)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of [(1Z,3Z)-4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane?
The InChIKey is OBDBKXXOPIGLOS-BVNLRVGSSA-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/b11-10-,12-9-.
What are the key properties of [(1Z,3Z)-4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane?
[(1Z,3Z)-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 [(1Z,3Z)-4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane is sourced from PubChem (CID 44607061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).