2-oct-7-en-2-yloxirane

C10H18O — CID 137456039

IUPAC2-oct-7-en-2-yloxirane
SMILESC=CCCCCC(C)C1CO1
InChIInChI=1S/C10H18O/c1-3-4-5-6-7-9(2)10-8-11-10/h3,9-10H,1,4-8H2,2H3
InChIKeyBHKIFNPPWIMCRO-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds6

About 2-oct-7-en-2-yloxirane

2-oct-7-en-2-yloxirane (PubChem CID 137456039) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-oct-7-en-2-yloxirane.

Molecular Properties

Compound Name2-oct-7-en-2-yloxirane
PubChem CID137456039
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-oct-7-en-2-yloxirane
SMILESC=CCCCCC(C)C1CO1
InChIInChI=1S/C10H18O/c1-3-4-5-6-7-9(2)10-8-11-10/h3,9-10H,1,4-8H2,2H3
InChIKeyBHKIFNPPWIMCRO-UHFFFAOYSA-N
XLogP2.77
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
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-en-2-yloxirane?
The IUPAC name of 2-oct-7-en-2-yloxirane (CID 137456039) is 2-oct-7-en-2-yloxirane.
What is the SMILES notation for 2-oct-7-en-2-yloxirane?
The canonical SMILES for 2-oct-7-en-2-yloxirane is C=CCCCCC(C)C1CO1.
What is the InChIKey of 2-oct-7-en-2-yloxirane?
The InChIKey is BHKIFNPPWIMCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-4-5-6-7-9(2)10-8-11-10/h3,9-10H,1,4-8H2,2H3.
What are the key properties of 2-oct-7-en-2-yloxirane?
2-oct-7-en-2-yloxirane has a molecular weight of 154.25 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oct-7-en-2-yloxirane is sourced from PubChem (CID 137456039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).