6-(chloromethyl)-2,2-dimethyloxasilinane

C7H15ClOSi — CID 174565435

IUPAC6-(chloromethyl)-2,2-dimethyloxasilinane
SMILESC[Si]1(C)CCCC(CCl)O1
InChIInChI=1S/C7H15ClOSi/c1-10(2)5-3-4-7(6-8)9-10/h7H,3-6H2,1-2H3
InChIKeyXONRDMBSJVXCHW-UHFFFAOYSA-N
MW178.73 g/mol
LogP2.61
Rot. Bonds1

About 6-(chloromethyl)-2,2-dimethyloxasilinane

6-(chloromethyl)-2,2-dimethyloxasilinane (PubChem CID 174565435) has the molecular formula C7H15ClOSi and a molecular weight of 178.73 g/mol. Its IUPAC name is 6-(chloromethyl)-2,2-dimethyloxasilinane.

Molecular Properties

Compound Name6-(chloromethyl)-2,2-dimethyloxasilinane
PubChem CID174565435
Molecular FormulaC7H15ClOSi
Molecular Weight178.73 g/mol
Exact Mass178.06
IUPAC Name6-(chloromethyl)-2,2-dimethyloxasilinane
SMILESC[Si]1(C)CCCC(CCl)O1
InChIInChI=1S/C7H15ClOSi/c1-10(2)5-3-4-7(6-8)9-10/h7H,3-6H2,1-2H3
InChIKeyXONRDMBSJVXCHW-UHFFFAOYSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.73
LogP ≤ 52.61
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 6-(chloromethyl)-2,2-dimethyloxasilinane?
The IUPAC name of 6-(chloromethyl)-2,2-dimethyloxasilinane (CID 174565435) is 6-(chloromethyl)-2,2-dimethyloxasilinane.
What is the SMILES notation for 6-(chloromethyl)-2,2-dimethyloxasilinane?
The canonical SMILES for 6-(chloromethyl)-2,2-dimethyloxasilinane is C[Si]1(C)CCCC(CCl)O1.
What is the InChIKey of 6-(chloromethyl)-2,2-dimethyloxasilinane?
The InChIKey is XONRDMBSJVXCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClOSi/c1-10(2)5-3-4-7(6-8)9-10/h7H,3-6H2,1-2H3.
What are the key properties of 6-(chloromethyl)-2,2-dimethyloxasilinane?
6-(chloromethyl)-2,2-dimethyloxasilinane has a molecular weight of 178.73 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-2,2-dimethyloxasilinane is sourced from PubChem (CID 174565435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).