2-chloro-3-ethyloxirane

C4H7ClO — CID 12710518

IUPAC2-chloro-3-ethyloxirane
SMILESCCC1OC1Cl
InChIInChI=1S/C4H7ClO/c1-2-3-4(5)6-3/h3-4H,2H2,1H3
InChIKeyITMIRWIISVVMAK-UHFFFAOYSA-N
MW106.55 g/mol
LogP1.36
Rot. Bonds1

About 2-chloro-3-ethyloxirane

2-chloro-3-ethyloxirane (PubChem CID 12710518) has the molecular formula C4H7ClO and a molecular weight of 106.55 g/mol. Its IUPAC name is 2-chloro-3-ethyloxirane.

Molecular Properties

Compound Name2-chloro-3-ethyloxirane
PubChem CID12710518
Molecular FormulaC4H7ClO
Molecular Weight106.55 g/mol
Exact Mass106.02
IUPAC Name2-chloro-3-ethyloxirane
SMILESCCC1OC1Cl
InChIInChI=1S/C4H7ClO/c1-2-3-4(5)6-3/h3-4H,2H2,1H3
InChIKeyITMIRWIISVVMAK-UHFFFAOYSA-N
XLogP1.36
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.55
LogP ≤ 51.36
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-ethyloxirane?
The IUPAC name of 2-chloro-3-ethyloxirane (CID 12710518) is 2-chloro-3-ethyloxirane.
What is the SMILES notation for 2-chloro-3-ethyloxirane?
The canonical SMILES for 2-chloro-3-ethyloxirane is CCC1OC1Cl.
What is the InChIKey of 2-chloro-3-ethyloxirane?
The InChIKey is ITMIRWIISVVMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO/c1-2-3-4(5)6-3/h3-4H,2H2,1H3.
What are the key properties of 2-chloro-3-ethyloxirane?
2-chloro-3-ethyloxirane has a molecular weight of 106.55 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethyloxirane is sourced from PubChem (CID 12710518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).