butyl-(2-chloroethyl)-propylsilane

C9H21ClSi — CID 123776832

IUPACbutyl-(2-chloroethyl)-propylsilane
SMILESCCCC[SiH](CCC)CCCl
InChIInChI=1S/C9H21ClSi/c1-3-5-8-11(7-4-2)9-6-10/h11H,3-9H2,1-2H3
InChIKeyMDIILQYHGJSNQZ-UHFFFAOYSA-N
MW192.81 g/mol
LogP3.66
Rot. Bonds7

About butyl-(2-chloroethyl)-propylsilane

butyl-(2-chloroethyl)-propylsilane (PubChem CID 123776832) has the molecular formula C9H21ClSi and a molecular weight of 192.81 g/mol. Its IUPAC name is butyl-(2-chloroethyl)-propylsilane.

Molecular Properties

Compound Namebutyl-(2-chloroethyl)-propylsilane
PubChem CID123776832
Molecular FormulaC9H21ClSi
Molecular Weight192.81 g/mol
Exact Mass192.11
IUPAC Namebutyl-(2-chloroethyl)-propylsilane
SMILESCCCC[SiH](CCC)CCCl
InChIInChI=1S/C9H21ClSi/c1-3-5-8-11(7-4-2)9-6-10/h11H,3-9H2,1-2H3
InChIKeyMDIILQYHGJSNQZ-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.81
LogP ≤ 53.66
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'}

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Frequently Asked Questions

What is the IUPAC name of butyl-(2-chloroethyl)-propylsilane?
The IUPAC name of butyl-(2-chloroethyl)-propylsilane (CID 123776832) is butyl-(2-chloroethyl)-propylsilane.
What is the SMILES notation for butyl-(2-chloroethyl)-propylsilane?
The canonical SMILES for butyl-(2-chloroethyl)-propylsilane is CCCC[SiH](CCC)CCCl.
What is the InChIKey of butyl-(2-chloroethyl)-propylsilane?
The InChIKey is MDIILQYHGJSNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClSi/c1-3-5-8-11(7-4-2)9-6-10/h11H,3-9H2,1-2H3.
What are the key properties of butyl-(2-chloroethyl)-propylsilane?
butyl-(2-chloroethyl)-propylsilane has a molecular weight of 192.81 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(2-chloroethyl)-propylsilane is sourced from PubChem (CID 123776832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).