tert-butyl-(3-chloropropoxy)-dimethylsilane

C9H21ClOSi — CID 11009160

IUPACtert-butyl-(3-chloropropoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCl
InChIInChI=1S/C9H21ClOSi/c1-9(2,3)12(4,5)11-8-6-7-10/h6-8H2,1-5H3
InChIKeyLROUBCOBLAPPAT-UHFFFAOYSA-N
MW208.80 g/mol
LogP3.64
Rot. Bonds4

About tert-butyl-(3-chloropropoxy)-dimethylsilane

tert-butyl-(3-chloropropoxy)-dimethylsilane (PubChem CID 11009160) has the molecular formula C9H21ClOSi and a molecular weight of 208.80 g/mol. Its IUPAC name is tert-butyl-(3-chloropropoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-chloropropoxy)-dimethylsilane
PubChem CID11009160
Molecular FormulaC9H21ClOSi
Molecular Weight208.80 g/mol
Exact Mass208.11
IUPAC Nametert-butyl-(3-chloropropoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCl
InChIInChI=1S/C9H21ClOSi/c1-9(2,3)12(4,5)11-8-6-7-10/h6-8H2,1-5H3
InChIKeyLROUBCOBLAPPAT-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.80
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-chloropropoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(3-chloropropoxy)-dimethylsilane (CID 11009160) is tert-butyl-(3-chloropropoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-chloropropoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(3-chloropropoxy)-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCCl.
What is the InChIKey of tert-butyl-(3-chloropropoxy)-dimethylsilane?
The InChIKey is LROUBCOBLAPPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClOSi/c1-9(2,3)12(4,5)11-8-6-7-10/h6-8H2,1-5H3.
What are the key properties of tert-butyl-(3-chloropropoxy)-dimethylsilane?
tert-butyl-(3-chloropropoxy)-dimethylsilane has a molecular weight of 208.80 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-chloropropoxy)-dimethylsilane is sourced from PubChem (CID 11009160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).