(1-methoxy-3-methylbuta-1,3-dienoxy)-trimethylsilane

C9H18O2Si — CID 53428155

IUPAC(1-methoxy-3-methylbuta-1,3-dienoxy)-trimethylsilane
SMILESC=C(C)C=C(OC)O[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-8(2)7-9(10-3)11-12(4,5)6/h7H,1H2,2-6H3
InChIKeyIXHFGEGYXORUHN-UHFFFAOYSA-N
MW186.33 g/mol
LogP2.90
Rot. Bonds4

About (1-methoxy-3-methylbuta-1,3-dienoxy)-trimethylsilane

(1-methoxy-3-methylbuta-1,3-dienoxy)-trimethylsilane (PubChem CID 53428155) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is (1-methoxy-3-methylbuta-1,3-dienoxy)-trimethylsilane.

Molecular Properties

Compound Name(1-methoxy-3-methylbuta-1,3-dienoxy)-trimethylsilane
PubChem CID53428155
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name(1-methoxy-3-methylbuta-1,3-dienoxy)-trimethylsilane
SMILESC=C(C)C=C(OC)O[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-8(2)7-9(10-3)11-12(4,5)6/h7H,1H2,2-6H3
InChIKeyIXHFGEGYXORUHN-UHFFFAOYSA-N
XLogP2.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-3-methylbuta-1,3-dienoxy)-trimethylsilane?
The IUPAC name of (1-methoxy-3-methylbuta-1,3-dienoxy)-trimethylsilane (CID 53428155) is (1-methoxy-3-methylbuta-1,3-dienoxy)-trimethylsilane.
What is the SMILES notation for (1-methoxy-3-methylbuta-1,3-dienoxy)-trimethylsilane?
The canonical SMILES for (1-methoxy-3-methylbuta-1,3-dienoxy)-trimethylsilane is C=C(C)C=C(OC)O[Si](C)(C)C.
What is the InChIKey of (1-methoxy-3-methylbuta-1,3-dienoxy)-trimethylsilane?
The InChIKey is IXHFGEGYXORUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-8(2)7-9(10-3)11-12(4,5)6/h7H,1H2,2-6H3.
What are the key properties of (1-methoxy-3-methylbuta-1,3-dienoxy)-trimethylsilane?
(1-methoxy-3-methylbuta-1,3-dienoxy)-trimethylsilane has a molecular weight of 186.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-3-methylbuta-1,3-dienoxy)-trimethylsilane is sourced from PubChem (CID 53428155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).