2-[(Z)-hex-3-enyl]oxirane

C8H14O — CID 88848739

IUPAC2-[(Z)-hex-3-enyl]oxirane
SMILESCC/C=C\CCC1CO1
InChIInChI=1S/C8H14O/c1-2-3-4-5-6-8-7-9-8/h3-4,8H,2,5-7H2,1H3/b4-3-
InChIKeyRORRJKPETKQQQP-ARJAWSKDSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds4

About 2-[(Z)-hex-3-enyl]oxirane

2-[(Z)-hex-3-enyl]oxirane (PubChem CID 88848739) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-[(Z)-hex-3-enyl]oxirane.

Molecular Properties

Compound Name2-[(Z)-hex-3-enyl]oxirane
PubChem CID88848739
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-[(Z)-hex-3-enyl]oxirane
SMILESCC/C=C\CCC1CO1
InChIInChI=1S/C8H14O/c1-2-3-4-5-6-8-7-9-8/h3-4,8H,2,5-7H2,1H3/b4-3-
InChIKeyRORRJKPETKQQQP-ARJAWSKDSA-N
XLogP2.13
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.13
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'}

Analyze 2-[(Z)-hex-3-enyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-hex-3-enyl]oxirane?
The IUPAC name of 2-[(Z)-hex-3-enyl]oxirane (CID 88848739) is 2-[(Z)-hex-3-enyl]oxirane.
What is the SMILES notation for 2-[(Z)-hex-3-enyl]oxirane?
The canonical SMILES for 2-[(Z)-hex-3-enyl]oxirane is CC/C=C\CCC1CO1.
What is the InChIKey of 2-[(Z)-hex-3-enyl]oxirane?
The InChIKey is RORRJKPETKQQQP-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H14O/c1-2-3-4-5-6-8-7-9-8/h3-4,8H,2,5-7H2,1H3/b4-3-.
What are the key properties of 2-[(Z)-hex-3-enyl]oxirane?
2-[(Z)-hex-3-enyl]oxirane has a molecular weight of 126.20 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-hex-3-enyl]oxirane is sourced from PubChem (CID 88848739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).