dichloromethyl(3-methylbut-2-enyl)silane

C6H12Cl2Si — CID 71363293

IUPACdichloromethyl(3-methylbut-2-enyl)silane
SMILESCC(C)=CC[SiH2]C(Cl)Cl
InChIInChI=1S/C6H12Cl2Si/c1-5(2)3-4-9-6(7)8/h3,6H,4,9H2,1-2H3
InChIKeyAPAFEKLCNITQET-UHFFFAOYSA-N
MW183.15 g/mol
LogP2.30
Rot. Bonds3

About dichloromethyl(3-methylbut-2-enyl)silane

dichloromethyl(3-methylbut-2-enyl)silane (PubChem CID 71363293) has the molecular formula C6H12Cl2Si and a molecular weight of 183.15 g/mol. Its IUPAC name is dichloromethyl(3-methylbut-2-enyl)silane.

Molecular Properties

Compound Namedichloromethyl(3-methylbut-2-enyl)silane
PubChem CID71363293
Molecular FormulaC6H12Cl2Si
Molecular Weight183.15 g/mol
Exact Mass182.01
IUPAC Namedichloromethyl(3-methylbut-2-enyl)silane
SMILESCC(C)=CC[SiH2]C(Cl)Cl
InChIInChI=1S/C6H12Cl2Si/c1-5(2)3-4-9-6(7)8/h3,6H,4,9H2,1-2H3
InChIKeyAPAFEKLCNITQET-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloromethyl(3-methylbut-2-enyl)silane?
The IUPAC name of dichloromethyl(3-methylbut-2-enyl)silane (CID 71363293) is dichloromethyl(3-methylbut-2-enyl)silane.
What is the SMILES notation for dichloromethyl(3-methylbut-2-enyl)silane?
The canonical SMILES for dichloromethyl(3-methylbut-2-enyl)silane is CC(C)=CC[SiH2]C(Cl)Cl.
What is the InChIKey of dichloromethyl(3-methylbut-2-enyl)silane?
The InChIKey is APAFEKLCNITQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2Si/c1-5(2)3-4-9-6(7)8/h3,6H,4,9H2,1-2H3.
What are the key properties of dichloromethyl(3-methylbut-2-enyl)silane?
dichloromethyl(3-methylbut-2-enyl)silane has a molecular weight of 183.15 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethyl(3-methylbut-2-enyl)silane is sourced from PubChem (CID 71363293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).