3-but-1-enoxypropyl(trichloro)silane

C₇H₁₃Cl₃OSi — CID 141105534

About 3-but-1-enoxypropyl(trichloro)silane

3-but-1-enoxypropyl(trichloro)silane (PubChem CID 141105534) has the molecular formula C₇H₁₃Cl₃OSi and a molecular weight of 247.62 g/mol. Its IUPAC name is 3-but-1-enoxypropyl(trichloro)silane.

Molecular Properties

• Compound Name: 3-but-1-enoxypropyl(trichloro)silane
• PubChem CID: 141105534
• Molecular Formula: C₇H₁₃Cl₃OSi
• Molecular Weight: 247.62 g/mol
• Exact Mass: 245.98
• IUPAC Name: 3-but-1-enoxypropyl(trichloro)silane
• SMILES: CCC=COCCC[Si](Cl)(Cl)Cl
• InChI: InChI=1S/C7H13Cl3OSi/c1-2-3-5-11-6-4-7-12(8,9)10/h3,5H,2,4,6-7H2,1H3
• InChIKey: GVSAFQSHFPZPFA-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	247.62
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-but-1-enoxypropyl(trichloro)silane?

The IUPAC name of 3-but-1-enoxypropyl(trichloro)silane (CID 141105534) is 3-but-1-enoxypropyl(trichloro)silane.

What is the SMILES notation for 3-but-1-enoxypropyl(trichloro)silane?

The canonical SMILES for 3-but-1-enoxypropyl(trichloro)silane is CCC=COCCC[Si](Cl)(Cl)Cl.

What is the InChIKey of 3-but-1-enoxypropyl(trichloro)silane?

The InChIKey is GVSAFQSHFPZPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl3OSi/c1-2-3-5-11-6-4-7-12(8,9)10/h3,5H,2,4,6-7H2,1H3.

What are the key properties of 3-but-1-enoxypropyl(trichloro)silane?

3-but-1-enoxypropyl(trichloro)silane has a molecular weight of 247.62 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-but-1-enoxypropyl(trichloro)silane is sourced from PubChem (CID 141105534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141105534 — identifiers, structure, computed properties (public domain)

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