2-[(2E)-2-ethylidenehex-5-enyl]oxirane

C10H16O — CID 145170362

IUPAC2-[(2E)-2-ethylidenehex-5-enyl]oxirane
SMILESC=CCC/C(=C\C)CC1CO1
InChIInChI=1S/C10H16O/c1-3-5-6-9(4-2)7-10-8-11-10/h3-4,10H,1,5-8H2,2H3/b9-4+
InChIKeyMTJKSZNHWNKSJG-RUDMXATFSA-N
MW152.24 g/mol
LogP2.69
Rot. Bonds5

About 2-[(2E)-2-ethylidenehex-5-enyl]oxirane

2-[(2E)-2-ethylidenehex-5-enyl]oxirane (PubChem CID 145170362) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-[(2E)-2-ethylidenehex-5-enyl]oxirane.

Molecular Properties

Compound Name2-[(2E)-2-ethylidenehex-5-enyl]oxirane
PubChem CID145170362
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-[(2E)-2-ethylidenehex-5-enyl]oxirane
SMILESC=CCC/C(=C\C)CC1CO1
InChIInChI=1S/C10H16O/c1-3-5-6-9(4-2)7-10-8-11-10/h3-4,10H,1,5-8H2,2H3/b9-4+
InChIKeyMTJKSZNHWNKSJG-RUDMXATFSA-N
XLogP2.69
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.69
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-[(2E)-2-ethylidenehex-5-enyl]oxirane?
The IUPAC name of 2-[(2E)-2-ethylidenehex-5-enyl]oxirane (CID 145170362) is 2-[(2E)-2-ethylidenehex-5-enyl]oxirane.
What is the SMILES notation for 2-[(2E)-2-ethylidenehex-5-enyl]oxirane?
The canonical SMILES for 2-[(2E)-2-ethylidenehex-5-enyl]oxirane is C=CCC/C(=C\C)CC1CO1.
What is the InChIKey of 2-[(2E)-2-ethylidenehex-5-enyl]oxirane?
The InChIKey is MTJKSZNHWNKSJG-RUDMXATFSA-N. The full InChI is InChI=1S/C10H16O/c1-3-5-6-9(4-2)7-10-8-11-10/h3-4,10H,1,5-8H2,2H3/b9-4+.
What are the key properties of 2-[(2E)-2-ethylidenehex-5-enyl]oxirane?
2-[(2E)-2-ethylidenehex-5-enyl]oxirane has a molecular weight of 152.24 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-ethylidenehex-5-enyl]oxirane is sourced from PubChem (CID 145170362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).