tert-butyl-(3-chloropropyl)-propan-2-ylsilane

C10H23ClSi — CID 123422642

IUPACtert-butyl-(3-chloropropyl)-propan-2-ylsilane
SMILESCC(C)[SiH](CCCCl)C(C)(C)C
InChIInChI=1S/C10H23ClSi/c1-9(2)12(8-6-7-11)10(3,4)5/h9,12H,6-8H2,1-5H3
InChIKeyWOPLORBIBANCCG-UHFFFAOYSA-N
MW206.83 g/mol
LogP4.05
Rot. Bonds4

About tert-butyl-(3-chloropropyl)-propan-2-ylsilane

tert-butyl-(3-chloropropyl)-propan-2-ylsilane (PubChem CID 123422642) has the molecular formula C10H23ClSi and a molecular weight of 206.83 g/mol. Its IUPAC name is tert-butyl-(3-chloropropyl)-propan-2-ylsilane.

Molecular Properties

Compound Nametert-butyl-(3-chloropropyl)-propan-2-ylsilane
PubChem CID123422642
Molecular FormulaC10H23ClSi
Molecular Weight206.83 g/mol
Exact Mass206.13
IUPAC Nametert-butyl-(3-chloropropyl)-propan-2-ylsilane
SMILESCC(C)[SiH](CCCCl)C(C)(C)C
InChIInChI=1S/C10H23ClSi/c1-9(2)12(8-6-7-11)10(3,4)5/h9,12H,6-8H2,1-5H3
InChIKeyWOPLORBIBANCCG-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.83
LogP ≤ 54.05
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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Related Compounds

chloro-(4-chlorobutyl)-propan-2-ylsilane
CID 173329540
1-chloro-4,4-dimethylpentane
CID 524245
CID 140686763
CID 140686763
4-bromo-1-chloro-4-methylpentane
CID 11344661
1,6-dichloro-5,6-dimethylheptane
CID 150904715
1-chloro-2-methyl-2-propan-2-ylsulfanylpropane
CID 130648512
1,7-dichloro-4-methylheptane
CID 175347315
1-chloropentane;2-methylpropane
CID 174338226
4-chlorobutyl(dimethyl)silane
CID 123153288
5-chloro-2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine
CID 106140823
5-chloro-1-methoxy-2,2-dimethylpentane
CID 165443489
CID 22558579
CID 22558579

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-chloropropyl)-propan-2-ylsilane?
The IUPAC name of tert-butyl-(3-chloropropyl)-propan-2-ylsilane (CID 123422642) is tert-butyl-(3-chloropropyl)-propan-2-ylsilane.
What is the SMILES notation for tert-butyl-(3-chloropropyl)-propan-2-ylsilane?
The canonical SMILES for tert-butyl-(3-chloropropyl)-propan-2-ylsilane is CC(C)[SiH](CCCCl)C(C)(C)C.
What is the InChIKey of tert-butyl-(3-chloropropyl)-propan-2-ylsilane?
The InChIKey is WOPLORBIBANCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23ClSi/c1-9(2)12(8-6-7-11)10(3,4)5/h9,12H,6-8H2,1-5H3.
What are the key properties of tert-butyl-(3-chloropropyl)-propan-2-ylsilane?
tert-butyl-(3-chloropropyl)-propan-2-ylsilane has a molecular weight of 206.83 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-chloropropyl)-propan-2-ylsilane is sourced from PubChem (CID 123422642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).