Allylchlorosilane

C3H5ClSi — CID 14089682

IUPAC—
SMILESC=CC[Si]Cl
InChIInChI=1S/C3H5ClSi/c1-2-3-5-4/h2H,1,3H2
InChIKeyQFQIZVUKNPVEPQ-UHFFFAOYSA-N
MW104.61 g/mol
LogP1.45
Rot. Bonds2

About Allylchlorosilane

Allylchlorosilane (PubChem CID 14089682) has the molecular formula C3H5ClSi and a molecular weight of 104.61 g/mol.

Molecular Properties

Compound NameAllylchlorosilane
PubChem CID14089682
Molecular FormulaC3H5ClSi
Molecular Weight104.61 g/mol
Exact Mass103.98
IUPAC Name—
SMILESC=CC[Si]Cl
InChIInChI=1S/C3H5ClSi/c1-2-3-5-4/h2H,1,3H2
InChIKeyQFQIZVUKNPVEPQ-UHFFFAOYSA-N
XLogP1.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.61
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

Trichloro-2-propen-1-ylsilane
CID 7867
Allyldichlorosilane
CID 6335185
Allylsilane
CID 140349
Silane, trichloro-1-propen-1-yl-
CID 86652
Dichloro(prop-2-enyl)silane
CID 77536
Dichloro(methyl)vinylsilane
CID 67827081
Chloro(prop-2-enyl)silane
CID 101645058
Prop-2-enylidenesilane
CID 102032901
Chloro(methyl)vinylsilane
CID 129815250
trichloro-[(E)-prop-1-enyl]silane
CID 6537979
Dichloro-fluoro-prop-2-enylsilane
CID 87577689
Fluoro(prop-2-enyl)silane
CID 172996816

Frequently Asked Questions

What is the IUPAC name of Allylchlorosilane?
The IUPAC name of Allylchlorosilane (CID 14089682) is not available.
What is the SMILES notation for Allylchlorosilane?
The canonical SMILES for Allylchlorosilane is C=CC[Si]Cl.
What is the InChIKey of Allylchlorosilane?
The InChIKey is QFQIZVUKNPVEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClSi/c1-2-3-5-4/h2H,1,3H2.
What are the key properties of Allylchlorosilane?
Allylchlorosilane has a molecular weight of 104.61 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Allylchlorosilane is sourced from PubChem (CID 14089682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).