3-but-1-enoxypropyl(trichloro)silane

C7H13Cl3OSi — CID 141105534

IUPAC3-but-1-enoxypropyl(trichloro)silane
SMILESCCC=COCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C7H13Cl3OSi/c1-2-3-5-11-6-4-7-12(8,9)10/h3,5H,2,4,6-7H2,1H3
InChIKeyGVSAFQSHFPZPFA-UHFFFAOYSA-N
MW247.62 g/mol
LogP3.97
Rot. Bonds6

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 Name3-but-1-enoxypropyl(trichloro)silane
PubChem CID141105534
Molecular FormulaC7H13Cl3OSi
Molecular Weight247.62 g/mol
Exact Mass245.98
IUPAC Name3-but-1-enoxypropyl(trichloro)silane
SMILESCCC=COCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C7H13Cl3OSi/c1-2-3-5-11-6-4-7-12(8,9)10/h3,5H,2,4,6-7H2,1H3
InChIKeyGVSAFQSHFPZPFA-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.62
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

Analyze 3-but-1-enoxypropyl(trichloro)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis[(E)-but-1-enoxy]butane
CID 22051874
1-[(E)-but-1-enoxy]butane
CID 5364928
3-but-1-enoxypropyl-tris(2-methoxyethoxy)silane
CID 141080753
1-[(E)-but-1-enoxy]heptane
CID 5366295
1-(2-chloroethoxy)but-1-ene
CID 123683593
4-but-1-enoxy-1,1,1-trimethoxybutane
CID 151725482
1-(2-methoxyethoxy)but-1-ene
CID 54192618
4-but-1-enoxybutyl acetate
CID 86593756
2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-ethylethanamine
CID 121299823
2-[2-(2-but-1-enoxyethoxy)ethoxy]ethanol
CID 140501157
(E)-3-(3-butoxypropoxy)prop-2-en-1-amine
CID 163524543
1-butoxyheptadec-1-ene
CID 173032025

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).