4,5-dichloro-2-methyl-1,3-dioxolane

C4H6Cl2O2 — CID 54239715

IUPAC4,5-dichloro-2-methyl-1,3-dioxolane
SMILESCC1OC(Cl)C(Cl)O1
InChIInChI=1S/C4H6Cl2O2/c1-2-7-3(5)4(6)8-2/h2-4H,1H3
InChIKeyQPDBMKOAOGPMJF-UHFFFAOYSA-N
MW157.00 g/mol
LogP1.51
Rot. Bonds

About 4,5-dichloro-2-methyl-1,3-dioxolane

4,5-dichloro-2-methyl-1,3-dioxolane (PubChem CID 54239715) has the molecular formula C4H6Cl2O2 and a molecular weight of 157.00 g/mol. Its IUPAC name is 4,5-dichloro-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name4,5-dichloro-2-methyl-1,3-dioxolane
PubChem CID54239715
Molecular FormulaC4H6Cl2O2
Molecular Weight157.00 g/mol
Exact Mass155.97
IUPAC Name4,5-dichloro-2-methyl-1,3-dioxolane
SMILESCC1OC(Cl)C(Cl)O1
InChIInChI=1S/C4H6Cl2O2/c1-2-7-3(5)4(6)8-2/h2-4H,1H3
InChIKeyQPDBMKOAOGPMJF-UHFFFAOYSA-N
XLogP1.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.00
LogP ≤ 51.51
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 4,5-dichloro-2-methyl-1,3-dioxolane?
The IUPAC name of 4,5-dichloro-2-methyl-1,3-dioxolane (CID 54239715) is 4,5-dichloro-2-methyl-1,3-dioxolane.
What is the SMILES notation for 4,5-dichloro-2-methyl-1,3-dioxolane?
The canonical SMILES for 4,5-dichloro-2-methyl-1,3-dioxolane is CC1OC(Cl)C(Cl)O1.
What is the InChIKey of 4,5-dichloro-2-methyl-1,3-dioxolane?
The InChIKey is QPDBMKOAOGPMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl2O2/c1-2-7-3(5)4(6)8-2/h2-4H,1H3.
What are the key properties of 4,5-dichloro-2-methyl-1,3-dioxolane?
4,5-dichloro-2-methyl-1,3-dioxolane has a molecular weight of 157.00 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-methyl-1,3-dioxolane is sourced from PubChem (CID 54239715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).