2-oct-7-enyloxirane

C10H18O — CID 543758

IUPAC2-oct-7-enyloxirane
SMILESC=CCCCCCCC1CO1
InChIInChI=1S/C10H18O/c1-2-3-4-5-6-7-8-10-9-11-10/h2,10H,1,3-9H2
InChIKeyFCZHJHKCOZGQJZ-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.91
Rot. Bonds7

About 2-oct-7-enyloxirane

2-oct-7-enyloxirane (PubChem CID 543758) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-oct-7-enyloxirane.

Molecular Properties

Compound Name2-oct-7-enyloxirane
PubChem CID543758
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-oct-7-enyloxirane
SMILESC=CCCCCCCC1CO1
InChIInChI=1S/C10H18O/c1-2-3-4-5-6-7-8-10-9-11-10/h2,10H,1,3-9H2
InChIKeyFCZHJHKCOZGQJZ-UHFFFAOYSA-N
XLogP2.91
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.91
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-oct-7-enyloxirane?
The IUPAC name of 2-oct-7-enyloxirane (CID 543758) is 2-oct-7-enyloxirane.
What is the SMILES notation for 2-oct-7-enyloxirane?
The canonical SMILES for 2-oct-7-enyloxirane is C=CCCCCCCC1CO1.
What is the InChIKey of 2-oct-7-enyloxirane?
The InChIKey is FCZHJHKCOZGQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-10-9-11-10/h2,10H,1,3-9H2.
What are the key properties of 2-oct-7-enyloxirane?
2-oct-7-enyloxirane has a molecular weight of 154.25 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oct-7-enyloxirane is sourced from PubChem (CID 543758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).