2-(2,2-dichloroethyl)-3-methyloxolane

C7H12Cl2O — CID 15748868

IUPAC2-(2,2-dichloroethyl)-3-methyloxolane
SMILESCC1CCOC1CC(Cl)Cl
InChIInChI=1S/C7H12Cl2O/c1-5-2-3-10-6(5)4-7(8)9/h5-7H,2-4H2,1H3
InChIKeyJAHOQPOMJYSTSR-UHFFFAOYSA-N
MW183.08 g/mol
LogP2.61
Rot. Bonds2

About 2-(2,2-dichloroethyl)-3-methyloxolane

2-(2,2-dichloroethyl)-3-methyloxolane (PubChem CID 15748868) has the molecular formula C7H12Cl2O and a molecular weight of 183.08 g/mol. Its IUPAC name is 2-(2,2-dichloroethyl)-3-methyloxolane.

Molecular Properties

Compound Name2-(2,2-dichloroethyl)-3-methyloxolane
PubChem CID15748868
Molecular FormulaC7H12Cl2O
Molecular Weight183.08 g/mol
Exact Mass182.03
IUPAC Name2-(2,2-dichloroethyl)-3-methyloxolane
SMILESCC1CCOC1CC(Cl)Cl
InChIInChI=1S/C7H12Cl2O/c1-5-2-3-10-6(5)4-7(8)9/h5-7H,2-4H2,1H3
InChIKeyJAHOQPOMJYSTSR-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
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)-3-methyloxolane?
The IUPAC name of 2-(2,2-dichloroethyl)-3-methyloxolane (CID 15748868) is 2-(2,2-dichloroethyl)-3-methyloxolane.
What is the SMILES notation for 2-(2,2-dichloroethyl)-3-methyloxolane?
The canonical SMILES for 2-(2,2-dichloroethyl)-3-methyloxolane is CC1CCOC1CC(Cl)Cl.
What is the InChIKey of 2-(2,2-dichloroethyl)-3-methyloxolane?
The InChIKey is JAHOQPOMJYSTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2O/c1-5-2-3-10-6(5)4-7(8)9/h5-7H,2-4H2,1H3.
What are the key properties of 2-(2,2-dichloroethyl)-3-methyloxolane?
2-(2,2-dichloroethyl)-3-methyloxolane has a molecular weight of 183.08 g/mol, XLogP of 2.61, 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)-3-methyloxolane is sourced from PubChem (CID 15748868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).