2-chloro-2-ethenyl-3-methyloxirane

C5H7ClO — CID 174530374

IUPAC2-chloro-2-ethenyl-3-methyloxirane
SMILESC=CC1(Cl)OC1C
InChIInChI=1S/C5H7ClO/c1-3-5(6)4(2)7-5/h3-4H,1H2,2H3
InChIKeyMXJNXUNGLLSCGC-UHFFFAOYSA-N
MW118.56 g/mol
LogP1.53
Rot. Bonds1

About 2-chloro-2-ethenyl-3-methyloxirane

2-chloro-2-ethenyl-3-methyloxirane (PubChem CID 174530374) has the molecular formula C5H7ClO and a molecular weight of 118.56 g/mol. Its IUPAC name is 2-chloro-2-ethenyl-3-methyloxirane.

Molecular Properties

Compound Name2-chloro-2-ethenyl-3-methyloxirane
PubChem CID174530374
Molecular FormulaC5H7ClO
Molecular Weight118.56 g/mol
Exact Mass118.02
IUPAC Name2-chloro-2-ethenyl-3-methyloxirane
SMILESC=CC1(Cl)OC1C
InChIInChI=1S/C5H7ClO/c1-3-5(6)4(2)7-5/h3-4H,1H2,2H3
InChIKeyMXJNXUNGLLSCGC-UHFFFAOYSA-N
XLogP1.53
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.56
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-ethenyl-3-methyloxirane?
The IUPAC name of 2-chloro-2-ethenyl-3-methyloxirane (CID 174530374) is 2-chloro-2-ethenyl-3-methyloxirane.
What is the SMILES notation for 2-chloro-2-ethenyl-3-methyloxirane?
The canonical SMILES for 2-chloro-2-ethenyl-3-methyloxirane is C=CC1(Cl)OC1C.
What is the InChIKey of 2-chloro-2-ethenyl-3-methyloxirane?
The InChIKey is MXJNXUNGLLSCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClO/c1-3-5(6)4(2)7-5/h3-4H,1H2,2H3.
What are the key properties of 2-chloro-2-ethenyl-3-methyloxirane?
2-chloro-2-ethenyl-3-methyloxirane has a molecular weight of 118.56 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-ethenyl-3-methyloxirane is sourced from PubChem (CID 174530374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).