2-propyloxirane

C5H10O — CID 13853

IUPAC2-propyloxirane
SMILESCCCC1CO1
InChIInChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3
InChIKeySYURNNNQIFDVCA-UHFFFAOYSA-N
MW86.13 g/mol
LogP1.19
Rot. Bonds2

About 2-propyloxirane

2-propyloxirane (PubChem CID 13853) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is 2-propyloxirane.

Molecular Properties

Compound Name2-propyloxirane
PubChem CID13853
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name2-propyloxirane
SMILESCCCC1CO1
InChIInChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3
InChIKeySYURNNNQIFDVCA-UHFFFAOYSA-N
XLogP1.19
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propyloxirane?
The IUPAC name of 2-propyloxirane (CID 13853) is 2-propyloxirane.
What is the SMILES notation for 2-propyloxirane?
The canonical SMILES for 2-propyloxirane is CCCC1CO1.
What is the InChIKey of 2-propyloxirane?
The InChIKey is SYURNNNQIFDVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3.
What are the key properties of 2-propyloxirane?
2-propyloxirane has a molecular weight of 86.13 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyloxirane is sourced from PubChem (CID 13853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).