1,3-dimethoxybuta-1,3-dienoxy(trimethyl)silane

C9H18O3Si — CID 53427827

IUPAC1,3-dimethoxybuta-1,3-dienoxy(trimethyl)silane
SMILESC=C(C=C(OC)O[Si](C)(C)C)OC
InChIInChI=1S/C9H18O3Si/c1-8(10-2)7-9(11-3)12-13(4,5)6/h7H,1H2,2-6H3
InChIKeyIXZKGTYBQWJMGE-UHFFFAOYSA-N
MW202.33 g/mol
LogP2.49
Rot. Bonds5

About 1,3-dimethoxybuta-1,3-dienoxy(trimethyl)silane

1,3-dimethoxybuta-1,3-dienoxy(trimethyl)silane (PubChem CID 53427827) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is 1,3-dimethoxybuta-1,3-dienoxy(trimethyl)silane.

Molecular Properties

Compound Name1,3-dimethoxybuta-1,3-dienoxy(trimethyl)silane
PubChem CID53427827
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Name1,3-dimethoxybuta-1,3-dienoxy(trimethyl)silane
SMILESC=C(C=C(OC)O[Si](C)(C)C)OC
InChIInChI=1S/C9H18O3Si/c1-8(10-2)7-9(11-3)12-13(4,5)6/h7H,1H2,2-6H3
InChIKeyIXZKGTYBQWJMGE-UHFFFAOYSA-N
XLogP2.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 52.49
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 1,3-dimethoxybuta-1,3-dienoxy(trimethyl)silane?
The IUPAC name of 1,3-dimethoxybuta-1,3-dienoxy(trimethyl)silane (CID 53427827) is 1,3-dimethoxybuta-1,3-dienoxy(trimethyl)silane.
What is the SMILES notation for 1,3-dimethoxybuta-1,3-dienoxy(trimethyl)silane?
The canonical SMILES for 1,3-dimethoxybuta-1,3-dienoxy(trimethyl)silane is C=C(C=C(OC)O[Si](C)(C)C)OC.
What is the InChIKey of 1,3-dimethoxybuta-1,3-dienoxy(trimethyl)silane?
The InChIKey is IXZKGTYBQWJMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-8(10-2)7-9(11-3)12-13(4,5)6/h7H,1H2,2-6H3.
What are the key properties of 1,3-dimethoxybuta-1,3-dienoxy(trimethyl)silane?
1,3-dimethoxybuta-1,3-dienoxy(trimethyl)silane has a molecular weight of 202.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxybuta-1,3-dienoxy(trimethyl)silane is sourced from PubChem (CID 53427827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).