2-chloroethyl-propan-2-yl-propylsilane

C8H19ClSi — CID 123882873

IUPAC2-chloroethyl-propan-2-yl-propylsilane
SMILESCCC[SiH](CCCl)C(C)C
InChIInChI=1S/C8H19ClSi/c1-4-6-10(7-5-9)8(2)3/h8,10H,4-7H2,1-3H3
InChIKeyQLBNMYIDPRJXDC-UHFFFAOYSA-N
MW178.78 g/mol
LogP3.27
Rot. Bonds5

About 2-chloroethyl-propan-2-yl-propylsilane

2-chloroethyl-propan-2-yl-propylsilane (PubChem CID 123882873) has the molecular formula C8H19ClSi and a molecular weight of 178.78 g/mol. Its IUPAC name is 2-chloroethyl-propan-2-yl-propylsilane.

Molecular Properties

Compound Name2-chloroethyl-propan-2-yl-propylsilane
PubChem CID123882873
Molecular FormulaC8H19ClSi
Molecular Weight178.78 g/mol
Exact Mass178.09
IUPAC Name2-chloroethyl-propan-2-yl-propylsilane
SMILESCCC[SiH](CCCl)C(C)C
InChIInChI=1S/C8H19ClSi/c1-4-6-10(7-5-9)8(2)3/h8,10H,4-7H2,1-3H3
InChIKeyQLBNMYIDPRJXDC-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.78
LogP ≤ 53.27
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 2-chloroethyl-propan-2-yl-propylsilane?
The IUPAC name of 2-chloroethyl-propan-2-yl-propylsilane (CID 123882873) is 2-chloroethyl-propan-2-yl-propylsilane.
What is the SMILES notation for 2-chloroethyl-propan-2-yl-propylsilane?
The canonical SMILES for 2-chloroethyl-propan-2-yl-propylsilane is CCC[SiH](CCCl)C(C)C.
What is the InChIKey of 2-chloroethyl-propan-2-yl-propylsilane?
The InChIKey is QLBNMYIDPRJXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19ClSi/c1-4-6-10(7-5-9)8(2)3/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-chloroethyl-propan-2-yl-propylsilane?
2-chloroethyl-propan-2-yl-propylsilane has a molecular weight of 178.78 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl-propan-2-yl-propylsilane is sourced from PubChem (CID 123882873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).