2-(2,2-dichloroethyl)-2-methyloxolane

C7H12Cl2O — CID 14027489

IUPAC2-(2,2-dichloroethyl)-2-methyloxolane
SMILESCC1(CC(Cl)Cl)CCCO1
InChIInChI=1S/C7H12Cl2O/c1-7(5-6(8)9)3-2-4-10-7/h6H,2-5H2,1H3
InChIKeyFKHGFTGZJLWECK-UHFFFAOYSA-N
MW183.08 g/mol
LogP2.75
Rot. Bonds2

About 2-(2,2-dichloroethyl)-2-methyloxolane

2-(2,2-dichloroethyl)-2-methyloxolane (PubChem CID 14027489) has the molecular formula C7H12Cl2O and a molecular weight of 183.08 g/mol. Its IUPAC name is 2-(2,2-dichloroethyl)-2-methyloxolane.

Molecular Properties

Compound Name2-(2,2-dichloroethyl)-2-methyloxolane
PubChem CID14027489
Molecular FormulaC7H12Cl2O
Molecular Weight183.08 g/mol
Exact Mass182.03
IUPAC Name2-(2,2-dichloroethyl)-2-methyloxolane
SMILESCC1(CC(Cl)Cl)CCCO1
InChIInChI=1S/C7H12Cl2O/c1-7(5-6(8)9)3-2-4-10-7/h6H,2-5H2,1H3
InChIKeyFKHGFTGZJLWECK-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.08
LogP ≤ 52.75
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 2-(2,2-dichloroethyl)-2-methyloxolane?
The IUPAC name of 2-(2,2-dichloroethyl)-2-methyloxolane (CID 14027489) is 2-(2,2-dichloroethyl)-2-methyloxolane.
What is the SMILES notation for 2-(2,2-dichloroethyl)-2-methyloxolane?
The canonical SMILES for 2-(2,2-dichloroethyl)-2-methyloxolane is CC1(CC(Cl)Cl)CCCO1.
What is the InChIKey of 2-(2,2-dichloroethyl)-2-methyloxolane?
The InChIKey is FKHGFTGZJLWECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2O/c1-7(5-6(8)9)3-2-4-10-7/h6H,2-5H2,1H3.
What are the key properties of 2-(2,2-dichloroethyl)-2-methyloxolane?
2-(2,2-dichloroethyl)-2-methyloxolane has a molecular weight of 183.08 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dichloroethyl)-2-methyloxolane is sourced from PubChem (CID 14027489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).