2-chloro-2-methyloxirane

C3H5ClO — CID 15120421

IUPAC2-chloro-2-methyloxirane
SMILESCC1(Cl)CO1
InChIInChI=1S/C3H5ClO/c1-3(4)2-5-3/h2H2,1H3
InChIKeyRRUZNUBGRZKRNR-UHFFFAOYSA-N
MW92.53 g/mol
LogP0.97
Rot. Bonds

About 2-chloro-2-methyloxirane

2-chloro-2-methyloxirane (PubChem CID 15120421) has the molecular formula C3H5ClO and a molecular weight of 92.53 g/mol. Its IUPAC name is 2-chloro-2-methyloxirane.

Molecular Properties

Compound Name2-chloro-2-methyloxirane
PubChem CID15120421
Molecular FormulaC3H5ClO
Molecular Weight92.53 g/mol
Exact Mass92.00
IUPAC Name2-chloro-2-methyloxirane
SMILESCC1(Cl)CO1
InChIInChI=1S/C3H5ClO/c1-3(4)2-5-3/h2H2,1H3
InChIKeyRRUZNUBGRZKRNR-UHFFFAOYSA-N
XLogP0.97
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.53
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-2-ethyloxirane
CID 141161415
(2S)-2-chloro-2-methyloxirane
CID 141450656

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-methyloxirane?
The IUPAC name of 2-chloro-2-methyloxirane (CID 15120421) is 2-chloro-2-methyloxirane.
What is the SMILES notation for 2-chloro-2-methyloxirane?
The canonical SMILES for 2-chloro-2-methyloxirane is CC1(Cl)CO1.
What is the InChIKey of 2-chloro-2-methyloxirane?
The InChIKey is RRUZNUBGRZKRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO/c1-3(4)2-5-3/h2H2,1H3.
What are the key properties of 2-chloro-2-methyloxirane?
2-chloro-2-methyloxirane has a molecular weight of 92.53 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-methyloxirane is sourced from PubChem (CID 15120421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).