2,3-dichloro-2-methyloxolane

C5H8Cl2O — CID 13494585

IUPAC2,3-dichloro-2-methyloxolane
SMILESCC1(Cl)OCCC1Cl
InChIInChI=1S/C5H8Cl2O/c1-5(7)4(6)2-3-8-5/h4H,2-3H2,1H3
InChIKeyPUBJPJACIBRCNA-UHFFFAOYSA-N
MW155.02 g/mol
LogP1.97
Rot. Bonds

About 2,3-dichloro-2-methyloxolane

2,3-dichloro-2-methyloxolane (PubChem CID 13494585) has the molecular formula C5H8Cl2O and a molecular weight of 155.02 g/mol. Its IUPAC name is 2,3-dichloro-2-methyloxolane.

Molecular Properties

Compound Name2,3-dichloro-2-methyloxolane
PubChem CID13494585
Molecular FormulaC5H8Cl2O
Molecular Weight155.02 g/mol
Exact Mass154.00
IUPAC Name2,3-dichloro-2-methyloxolane
SMILESCC1(Cl)OCCC1Cl
InChIInChI=1S/C5H8Cl2O/c1-5(7)4(6)2-3-8-5/h4H,2-3H2,1H3
InChIKeyPUBJPJACIBRCNA-UHFFFAOYSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.02
LogP ≤ 51.97
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 2,3-dichloro-2-methyloxolane?
The IUPAC name of 2,3-dichloro-2-methyloxolane (CID 13494585) is 2,3-dichloro-2-methyloxolane.
What is the SMILES notation for 2,3-dichloro-2-methyloxolane?
The canonical SMILES for 2,3-dichloro-2-methyloxolane is CC1(Cl)OCCC1Cl.
What is the InChIKey of 2,3-dichloro-2-methyloxolane?
The InChIKey is PUBJPJACIBRCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2O/c1-5(7)4(6)2-3-8-5/h4H,2-3H2,1H3.
What are the key properties of 2,3-dichloro-2-methyloxolane?
2,3-dichloro-2-methyloxolane has a molecular weight of 155.02 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-2-methyloxolane is sourced from PubChem (CID 13494585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).