(1-methoxy-2-methyl-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane

C12H26O3Si2 — CID 72780672

IUPAC(1-methoxy-2-methyl-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane
SMILESC=C(O[Si](C)(C)C)C(C)=C(OC)O[Si](C)(C)C
InChIInChI=1S/C12H26O3Si2/c1-10(11(2)14-16(4,5)6)12(13-3)15-17(7,8)9/h2H2,1,3-9H3
InChIKeySHQBVFSWQKHIJH-UHFFFAOYSA-N
MW274.51 g/mol
LogP4.08
Rot. Bonds6

About (1-methoxy-2-methyl-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane

(1-methoxy-2-methyl-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane (PubChem CID 72780672) has the molecular formula C12H26O3Si2 and a molecular weight of 274.51 g/mol. Its IUPAC name is (1-methoxy-2-methyl-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane.

Molecular Properties

Compound Name(1-methoxy-2-methyl-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane
PubChem CID72780672
Molecular FormulaC12H26O3Si2
Molecular Weight274.51 g/mol
Exact Mass274.14
IUPAC Name(1-methoxy-2-methyl-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane
SMILESC=C(O[Si](C)(C)C)C(C)=C(OC)O[Si](C)(C)C
InChIInChI=1S/C12H26O3Si2/c1-10(11(2)14-16(4,5)6)12(13-3)15-17(7,8)9/h2H2,1,3-9H3
InChIKeySHQBVFSWQKHIJH-UHFFFAOYSA-N
XLogP4.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.51
LogP ≤ 54.08
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 (1-methoxy-2-methyl-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane?
The IUPAC name of (1-methoxy-2-methyl-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane (CID 72780672) is (1-methoxy-2-methyl-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane.
What is the SMILES notation for (1-methoxy-2-methyl-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane?
The canonical SMILES for (1-methoxy-2-methyl-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane is C=C(O[Si](C)(C)C)C(C)=C(OC)O[Si](C)(C)C.
What is the InChIKey of (1-methoxy-2-methyl-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane?
The InChIKey is SHQBVFSWQKHIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si2/c1-10(11(2)14-16(4,5)6)12(13-3)15-17(7,8)9/h2H2,1,3-9H3.
What are the key properties of (1-methoxy-2-methyl-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane?
(1-methoxy-2-methyl-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane has a molecular weight of 274.51 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-2-methyl-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane is sourced from PubChem (CID 72780672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).