5-(2,2-dichloroethyl)-2,2-dimethyloxolane

C8H14Cl2O — CID 14027495

IUPAC5-(2,2-dichloroethyl)-2,2-dimethyloxolane
SMILESCC1(C)CCC(CC(Cl)Cl)O1
InChIInChI=1S/C8H14Cl2O/c1-8(2)4-3-6(11-8)5-7(9)10/h6-7H,3-5H2,1-2H3
InChIKeyMCJHXGXWGRMDEL-UHFFFAOYSA-N
MW197.10 g/mol
LogP3.14
Rot. Bonds2

About 5-(2,2-dichloroethyl)-2,2-dimethyloxolane

5-(2,2-dichloroethyl)-2,2-dimethyloxolane (PubChem CID 14027495) has the molecular formula C8H14Cl2O and a molecular weight of 197.10 g/mol. Its IUPAC name is 5-(2,2-dichloroethyl)-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-(2,2-dichloroethyl)-2,2-dimethyloxolane
PubChem CID14027495
Molecular FormulaC8H14Cl2O
Molecular Weight197.10 g/mol
Exact Mass196.04
IUPAC Name5-(2,2-dichloroethyl)-2,2-dimethyloxolane
SMILESCC1(C)CCC(CC(Cl)Cl)O1
InChIInChI=1S/C8H14Cl2O/c1-8(2)4-3-6(11-8)5-7(9)10/h6-7H,3-5H2,1-2H3
InChIKeyMCJHXGXWGRMDEL-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.10
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dichloroethyl)-2,2-dimethyloxolane?
The IUPAC name of 5-(2,2-dichloroethyl)-2,2-dimethyloxolane (CID 14027495) is 5-(2,2-dichloroethyl)-2,2-dimethyloxolane.
What is the SMILES notation for 5-(2,2-dichloroethyl)-2,2-dimethyloxolane?
The canonical SMILES for 5-(2,2-dichloroethyl)-2,2-dimethyloxolane is CC1(C)CCC(CC(Cl)Cl)O1.
What is the InChIKey of 5-(2,2-dichloroethyl)-2,2-dimethyloxolane?
The InChIKey is MCJHXGXWGRMDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl2O/c1-8(2)4-3-6(11-8)5-7(9)10/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-(2,2-dichloroethyl)-2,2-dimethyloxolane?
5-(2,2-dichloroethyl)-2,2-dimethyloxolane has a molecular weight of 197.10 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dichloroethyl)-2,2-dimethyloxolane is sourced from PubChem (CID 14027495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).