2-pent-4-enyloxirane

C7H12O — CID 14264958

IUPAC2-pent-4-enyloxirane
SMILESC=CCCCC1CO1
InChIInChI=1S/C7H12O/c1-2-3-4-5-7-6-8-7/h2,7H,1,3-6H2
InChIKeyKCCIMXJIZJBZPX-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.74
Rot. Bonds4

About 2-pent-4-enyloxirane

2-pent-4-enyloxirane (PubChem CID 14264958) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2-pent-4-enyloxirane.

Molecular Properties

Compound Name2-pent-4-enyloxirane
PubChem CID14264958
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2-pent-4-enyloxirane
SMILESC=CCCCC1CO1
InChIInChI=1S/C7H12O/c1-2-3-4-5-7-6-8-7/h2,7H,1,3-6H2
InChIKeyKCCIMXJIZJBZPX-UHFFFAOYSA-N
XLogP1.74
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-pent-4-enyloxirane?
The IUPAC name of 2-pent-4-enyloxirane (CID 14264958) is 2-pent-4-enyloxirane.
What is the SMILES notation for 2-pent-4-enyloxirane?
The canonical SMILES for 2-pent-4-enyloxirane is C=CCCCC1CO1.
What is the InChIKey of 2-pent-4-enyloxirane?
The InChIKey is KCCIMXJIZJBZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-2-3-4-5-7-6-8-7/h2,7H,1,3-6H2.
What are the key properties of 2-pent-4-enyloxirane?
2-pent-4-enyloxirane has a molecular weight of 112.17 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-enyloxirane is sourced from PubChem (CID 14264958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).