(2R,3R)-3-(dichloromethyl)-2-ethyloxolane

C7H12Cl2O — CID 642415

IUPAC(2R,3R)-3-(dichloromethyl)-2-ethyloxolane
SMILESCC[C@H]1OCC[C@H]1C(Cl)Cl
InChIInChI=1S/C7H12Cl2O/c1-2-6-5(7(8)9)3-4-10-6/h5-7H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyXGIMFQLVUSLQKL-PHDIDXHHSA-N
MW183.08 g/mol
LogP2.61
Rot. Bonds2

About (2R,3R)-3-(dichloromethyl)-2-ethyloxolane

(2R,3R)-3-(dichloromethyl)-2-ethyloxolane (PubChem CID 642415) has the molecular formula C7H12Cl2O and a molecular weight of 183.08 g/mol. Its IUPAC name is (2R,3R)-3-(dichloromethyl)-2-ethyloxolane.

Molecular Properties

Compound Name(2R,3R)-3-(dichloromethyl)-2-ethyloxolane
PubChem CID642415
Molecular FormulaC7H12Cl2O
Molecular Weight183.08 g/mol
Exact Mass182.03
IUPAC Name(2R,3R)-3-(dichloromethyl)-2-ethyloxolane
SMILESCC[C@H]1OCC[C@H]1C(Cl)Cl
InChIInChI=1S/C7H12Cl2O/c1-2-6-5(7(8)9)3-4-10-6/h5-7H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyXGIMFQLVUSLQKL-PHDIDXHHSA-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'}

Analyze (2R,3R)-3-(dichloromethyl)-2-ethyloxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(dichloromethyl)-2-ethyloxolane?
The IUPAC name of (2R,3R)-3-(dichloromethyl)-2-ethyloxolane (CID 642415) is (2R,3R)-3-(dichloromethyl)-2-ethyloxolane.
What is the SMILES notation for (2R,3R)-3-(dichloromethyl)-2-ethyloxolane?
The canonical SMILES for (2R,3R)-3-(dichloromethyl)-2-ethyloxolane is CC[C@H]1OCC[C@H]1C(Cl)Cl.
What is the InChIKey of (2R,3R)-3-(dichloromethyl)-2-ethyloxolane?
The InChIKey is XGIMFQLVUSLQKL-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H12Cl2O/c1-2-6-5(7(8)9)3-4-10-6/h5-7H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-3-(dichloromethyl)-2-ethyloxolane?
(2R,3R)-3-(dichloromethyl)-2-ethyloxolane 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 (2R,3R)-3-(dichloromethyl)-2-ethyloxolane is sourced from PubChem (CID 642415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).