2-[(Z)-pent-2-enyl]oxirane

C7H12O — CID 6436649

IUPAC2-[(Z)-pent-2-enyl]oxirane
SMILESCC/C=C\CC1CO1
InChIInChI=1S/C7H12O/c1-2-3-4-5-7-6-8-7/h3-4,7H,2,5-6H2,1H3/b4-3-
InChIKeyPAMAYFDIVUSTFP-ARJAWSKDSA-N
MW112.17 g/mol
LogP1.74
Rot. Bonds3

About 2-[(Z)-pent-2-enyl]oxirane

2-[(Z)-pent-2-enyl]oxirane (PubChem CID 6436649) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2-[(Z)-pent-2-enyl]oxirane.

Molecular Properties

Compound Name2-[(Z)-pent-2-enyl]oxirane
PubChem CID6436649
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2-[(Z)-pent-2-enyl]oxirane
SMILESCC/C=C\CC1CO1
InChIInChI=1S/C7H12O/c1-2-3-4-5-7-6-8-7/h3-4,7H,2,5-6H2,1H3/b4-3-
InChIKeyPAMAYFDIVUSTFP-ARJAWSKDSA-N
XLogP1.74
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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': '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-[(Z)-pent-2-enyl]oxirane?
The IUPAC name of 2-[(Z)-pent-2-enyl]oxirane (CID 6436649) is 2-[(Z)-pent-2-enyl]oxirane.
What is the SMILES notation for 2-[(Z)-pent-2-enyl]oxirane?
The canonical SMILES for 2-[(Z)-pent-2-enyl]oxirane is CC/C=C\CC1CO1.
What is the InChIKey of 2-[(Z)-pent-2-enyl]oxirane?
The InChIKey is PAMAYFDIVUSTFP-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H12O/c1-2-3-4-5-7-6-8-7/h3-4,7H,2,5-6H2,1H3/b4-3-.
What are the key properties of 2-[(Z)-pent-2-enyl]oxirane?
2-[(Z)-pent-2-enyl]oxirane has a molecular weight of 112.17 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-pent-2-enyl]oxirane is sourced from PubChem (CID 6436649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).