2-chloro-3-propyloxirane

C5H9ClO — CID 54001343

IUPAC2-chloro-3-propyloxirane
SMILESCCCC1OC1Cl
InChIInChI=1S/C5H9ClO/c1-2-3-4-5(6)7-4/h4-5H,2-3H2,1H3
InChIKeyKLVKFOMQCKTWAA-UHFFFAOYSA-N
MW120.58 g/mol
LogP1.75
Rot. Bonds2

About 2-chloro-3-propyloxirane

2-chloro-3-propyloxirane (PubChem CID 54001343) has the molecular formula C5H9ClO and a molecular weight of 120.58 g/mol. Its IUPAC name is 2-chloro-3-propyloxirane.

Molecular Properties

Compound Name2-chloro-3-propyloxirane
PubChem CID54001343
Molecular FormulaC5H9ClO
Molecular Weight120.58 g/mol
Exact Mass120.03
IUPAC Name2-chloro-3-propyloxirane
SMILESCCCC1OC1Cl
InChIInChI=1S/C5H9ClO/c1-2-3-4-5(6)7-4/h4-5H,2-3H2,1H3
InChIKeyKLVKFOMQCKTWAA-UHFFFAOYSA-N
XLogP1.75
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.58
LogP ≤ 51.75
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-propyloxirane?
The IUPAC name of 2-chloro-3-propyloxirane (CID 54001343) is 2-chloro-3-propyloxirane.
What is the SMILES notation for 2-chloro-3-propyloxirane?
The canonical SMILES for 2-chloro-3-propyloxirane is CCCC1OC1Cl.
What is the InChIKey of 2-chloro-3-propyloxirane?
The InChIKey is KLVKFOMQCKTWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO/c1-2-3-4-5(6)7-4/h4-5H,2-3H2,1H3.
What are the key properties of 2-chloro-3-propyloxirane?
2-chloro-3-propyloxirane has a molecular weight of 120.58 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-propyloxirane is sourced from PubChem (CID 54001343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).