5-(2,2-dichloroethyl)-3-methyloxolan-2-one

C7H10Cl2O2 — CID 15748897

IUPAC5-(2,2-dichloroethyl)-3-methyloxolan-2-one
SMILESCC1CC(CC(Cl)Cl)OC1=O
InChIInChI=1S/C7H10Cl2O2/c1-4-2-5(3-6(8)9)11-7(4)10/h4-6H,2-3H2,1H3
InChIKeyUXFZRRGYFJZJJZ-UHFFFAOYSA-N
MW197.06 g/mol
LogP2.13
Rot. Bonds2

About 5-(2,2-dichloroethyl)-3-methyloxolan-2-one

5-(2,2-dichloroethyl)-3-methyloxolan-2-one (PubChem CID 15748897) has the molecular formula C7H10Cl2O2 and a molecular weight of 197.06 g/mol. Its IUPAC name is 5-(2,2-dichloroethyl)-3-methyloxolan-2-one.

Molecular Properties

Compound Name5-(2,2-dichloroethyl)-3-methyloxolan-2-one
PubChem CID15748897
Molecular FormulaC7H10Cl2O2
Molecular Weight197.06 g/mol
Exact Mass196.01
IUPAC Name5-(2,2-dichloroethyl)-3-methyloxolan-2-one
SMILESCC1CC(CC(Cl)Cl)OC1=O
InChIInChI=1S/C7H10Cl2O2/c1-4-2-5(3-6(8)9)11-7(4)10/h4-6H,2-3H2,1H3
InChIKeyUXFZRRGYFJZJJZ-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.06
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-3-methyloxolan-2-one?
The IUPAC name of 5-(2,2-dichloroethyl)-3-methyloxolan-2-one (CID 15748897) is 5-(2,2-dichloroethyl)-3-methyloxolan-2-one.
What is the SMILES notation for 5-(2,2-dichloroethyl)-3-methyloxolan-2-one?
The canonical SMILES for 5-(2,2-dichloroethyl)-3-methyloxolan-2-one is CC1CC(CC(Cl)Cl)OC1=O.
What is the InChIKey of 5-(2,2-dichloroethyl)-3-methyloxolan-2-one?
The InChIKey is UXFZRRGYFJZJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2O2/c1-4-2-5(3-6(8)9)11-7(4)10/h4-6H,2-3H2,1H3.
What are the key properties of 5-(2,2-dichloroethyl)-3-methyloxolan-2-one?
5-(2,2-dichloroethyl)-3-methyloxolan-2-one has a molecular weight of 197.06 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dichloroethyl)-3-methyloxolan-2-one is sourced from PubChem (CID 15748897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).