2,4-dichlorooxolane

C4H6Cl2O — CID 89404840

IUPAC2,4-dichlorooxolane
SMILESClC1COC(Cl)C1
InChIInChI=1S/C4H6Cl2O/c5-3-1-4(6)7-2-3/h3-4H,1-2H2
InChIKeyRKVODRDSBPTJCZ-UHFFFAOYSA-N
MW141.00 g/mol
LogP1.58
Rot. Bonds

About 2,4-dichlorooxolane

2,4-dichlorooxolane (PubChem CID 89404840) has the molecular formula C4H6Cl2O and a molecular weight of 141.00 g/mol. Its IUPAC name is 2,4-dichlorooxolane.

Molecular Properties

Compound Name2,4-dichlorooxolane
PubChem CID89404840
Molecular FormulaC4H6Cl2O
Molecular Weight141.00 g/mol
Exact Mass139.98
IUPAC Name2,4-dichlorooxolane
SMILESClC1COC(Cl)C1
InChIInChI=1S/C4H6Cl2O/c5-3-1-4(6)7-2-3/h3-4H,1-2H2
InChIKeyRKVODRDSBPTJCZ-UHFFFAOYSA-N
XLogP1.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.00
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-oxirane-2-carbonyl chloride
CID 89298336
5-chlorotrioxane
CID 150169287
2-chlorooxane-4-carbaldehyde
CID 87356208
2-chloro-1,3-dioxetane
CID 57084930
(2R,6R)-4-chloro-2,6-dimethyloxane
CID 124564332
(3S)-3-chlorooxolane
CID 86312343
2-chloro-N,N-bis(oxiran-2-ylmethyl)prop-2-enamide
CID 88735319
4-chloro-1,3-dioxolane-2-carbaldehyde
CID 174481906
(2R,4S)-2-(iodomethyl)-4-methyloxolane
CID 125455824
3-(oxiran-2-yl)propanoyl chloride
CID 175059672
(2R,3R,5S)-2-[(2R,3R,5S)-3,5-dihydroxyoxan-2-yl]oxyoxane-3,5-diol
CID 177164369
[(2R,4S)-4-methyloxolan-2-yl]methanamine
CID 124578103

Frequently Asked Questions

What is the IUPAC name of 2,4-dichlorooxolane?
The IUPAC name of 2,4-dichlorooxolane (CID 89404840) is 2,4-dichlorooxolane.
What is the SMILES notation for 2,4-dichlorooxolane?
The canonical SMILES for 2,4-dichlorooxolane is ClC1COC(Cl)C1.
What is the InChIKey of 2,4-dichlorooxolane?
The InChIKey is RKVODRDSBPTJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl2O/c5-3-1-4(6)7-2-3/h3-4H,1-2H2.
What are the key properties of 2,4-dichlorooxolane?
2,4-dichlorooxolane has a molecular weight of 141.00 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichlorooxolane is sourced from PubChem (CID 89404840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).