tert-butyl-chloro-(3-chloropropyl)-methylsilane

C8H18Cl2Si — CID 23362574

IUPACtert-butyl-chloro-(3-chloropropyl)-methylsilane
SMILESCC(C)(C)[Si](C)(Cl)CCCCl
InChIInChI=1S/C8H18Cl2Si/c1-8(2,3)11(4,10)7-5-6-9/h5-7H2,1-4H3
InChIKeyUMMVNXZYMBSUKM-UHFFFAOYSA-N
MW213.22 g/mol
LogP4.23
Rot. Bonds3

About tert-butyl-chloro-(3-chloropropyl)-methylsilane

tert-butyl-chloro-(3-chloropropyl)-methylsilane (PubChem CID 23362574) has the molecular formula C8H18Cl2Si and a molecular weight of 213.22 g/mol. Its IUPAC name is tert-butyl-chloro-(3-chloropropyl)-methylsilane.

Molecular Properties

Compound Nametert-butyl-chloro-(3-chloropropyl)-methylsilane
PubChem CID23362574
Molecular FormulaC8H18Cl2Si
Molecular Weight213.22 g/mol
Exact Mass212.06
IUPAC Nametert-butyl-chloro-(3-chloropropyl)-methylsilane
SMILESCC(C)(C)[Si](C)(Cl)CCCCl
InChIInChI=1S/C8H18Cl2Si/c1-8(2,3)11(4,10)7-5-6-9/h5-7H2,1-4H3
InChIKeyUMMVNXZYMBSUKM-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 54.23
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': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-chloro-(3-chloropropyl)-methylsilane?
The IUPAC name of tert-butyl-chloro-(3-chloropropyl)-methylsilane (CID 23362574) is tert-butyl-chloro-(3-chloropropyl)-methylsilane.
What is the SMILES notation for tert-butyl-chloro-(3-chloropropyl)-methylsilane?
The canonical SMILES for tert-butyl-chloro-(3-chloropropyl)-methylsilane is CC(C)(C)[Si](C)(Cl)CCCCl.
What is the InChIKey of tert-butyl-chloro-(3-chloropropyl)-methylsilane?
The InChIKey is UMMVNXZYMBSUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18Cl2Si/c1-8(2,3)11(4,10)7-5-6-9/h5-7H2,1-4H3.
What are the key properties of tert-butyl-chloro-(3-chloropropyl)-methylsilane?
tert-butyl-chloro-(3-chloropropyl)-methylsilane has a molecular weight of 213.22 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-chloro-(3-chloropropyl)-methylsilane is sourced from PubChem (CID 23362574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).