chloro-(4-chlorobutyl)-propan-2-ylsilane

C7H16Cl2Si — CID 173329540

IUPACchloro-(4-chlorobutyl)-propan-2-ylsilane
SMILESCC(C)[SiH](Cl)CCCCCl
InChIInChI=1S/C7H16Cl2Si/c1-7(2)10(9)6-4-3-5-8/h7,10H,3-6H2,1-2H3
InChIKeyCTVQDDFUUNBERM-UHFFFAOYSA-N
MW199.20 g/mol
LogP3.38
Rot. Bonds5

About chloro-(4-chlorobutyl)-propan-2-ylsilane

chloro-(4-chlorobutyl)-propan-2-ylsilane (PubChem CID 173329540) has the molecular formula C7H16Cl2Si and a molecular weight of 199.20 g/mol. Its IUPAC name is chloro-(4-chlorobutyl)-propan-2-ylsilane.

Molecular Properties

Compound Namechloro-(4-chlorobutyl)-propan-2-ylsilane
PubChem CID173329540
Molecular FormulaC7H16Cl2Si
Molecular Weight199.20 g/mol
Exact Mass198.04
IUPAC Namechloro-(4-chlorobutyl)-propan-2-ylsilane
SMILESCC(C)[SiH](Cl)CCCCCl
InChIInChI=1S/C7H16Cl2Si/c1-7(2)10(9)6-4-3-5-8/h7,10H,3-6H2,1-2H3
InChIKeyCTVQDDFUUNBERM-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-(4-chlorobutyl)-propan-2-ylsilane?
The IUPAC name of chloro-(4-chlorobutyl)-propan-2-ylsilane (CID 173329540) is chloro-(4-chlorobutyl)-propan-2-ylsilane.
What is the SMILES notation for chloro-(4-chlorobutyl)-propan-2-ylsilane?
The canonical SMILES for chloro-(4-chlorobutyl)-propan-2-ylsilane is CC(C)[SiH](Cl)CCCCCl.
What is the InChIKey of chloro-(4-chlorobutyl)-propan-2-ylsilane?
The InChIKey is CTVQDDFUUNBERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16Cl2Si/c1-7(2)10(9)6-4-3-5-8/h7,10H,3-6H2,1-2H3.
What are the key properties of chloro-(4-chlorobutyl)-propan-2-ylsilane?
chloro-(4-chlorobutyl)-propan-2-ylsilane has a molecular weight of 199.20 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(4-chlorobutyl)-propan-2-ylsilane is sourced from PubChem (CID 173329540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).