2-(3-chloropropyl)-2,6-dimethyloxasilinane

C9H19ClOSi — CID 23332284

IUPAC2-(3-chloropropyl)-2,6-dimethyloxasilinane
SMILESCC1CCC[Si](C)(CCCCl)O1
InChIInChI=1S/C9H19ClOSi/c1-9-5-3-7-12(2,11-9)8-4-6-10/h9H,3-8H2,1-2H3
InChIKeyARTRVHYWYXNLRZ-UHFFFAOYSA-N
MW206.79 g/mol
LogP3.39
Rot. Bonds3

About 2-(3-chloropropyl)-2,6-dimethyloxasilinane

2-(3-chloropropyl)-2,6-dimethyloxasilinane (PubChem CID 23332284) has the molecular formula C9H19ClOSi and a molecular weight of 206.79 g/mol. Its IUPAC name is 2-(3-chloropropyl)-2,6-dimethyloxasilinane.

Molecular Properties

Compound Name2-(3-chloropropyl)-2,6-dimethyloxasilinane
PubChem CID23332284
Molecular FormulaC9H19ClOSi
Molecular Weight206.79 g/mol
Exact Mass206.09
IUPAC Name2-(3-chloropropyl)-2,6-dimethyloxasilinane
SMILESCC1CCC[Si](C)(CCCCl)O1
InChIInChI=1S/C9H19ClOSi/c1-9-5-3-7-12(2,11-9)8-4-6-10/h9H,3-8H2,1-2H3
InChIKeyARTRVHYWYXNLRZ-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.79
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(3-chloropropyl)-2,6-dimethyloxasilinane?
The IUPAC name of 2-(3-chloropropyl)-2,6-dimethyloxasilinane (CID 23332284) is 2-(3-chloropropyl)-2,6-dimethyloxasilinane.
What is the SMILES notation for 2-(3-chloropropyl)-2,6-dimethyloxasilinane?
The canonical SMILES for 2-(3-chloropropyl)-2,6-dimethyloxasilinane is CC1CCC[Si](C)(CCCCl)O1.
What is the InChIKey of 2-(3-chloropropyl)-2,6-dimethyloxasilinane?
The InChIKey is ARTRVHYWYXNLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClOSi/c1-9-5-3-7-12(2,11-9)8-4-6-10/h9H,3-8H2,1-2H3.
What are the key properties of 2-(3-chloropropyl)-2,6-dimethyloxasilinane?
2-(3-chloropropyl)-2,6-dimethyloxasilinane has a molecular weight of 206.79 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-2,6-dimethyloxasilinane is sourced from PubChem (CID 23332284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).