2-[(E)-oct-1-en-3-ynyl]oxirane

C10H14O — CID 5324175

IUPAC2-[(E)-oct-1-en-3-ynyl]oxirane
SMILESCCCCC#C/C=C/C1CO1
InChIInChI=1S/C10H14O/c1-2-3-4-5-6-7-8-10-9-11-10/h7-8,10H,2-4,9H2,1H3/b8-7+
InChIKeyAIEQWWXBIWZCJO-BQYQJAHWSA-N
MW150.22 g/mol
LogP2.13
Rot. Bonds3

About 2-[(E)-oct-1-en-3-ynyl]oxirane

2-[(E)-oct-1-en-3-ynyl]oxirane (PubChem CID 5324175) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-[(E)-oct-1-en-3-ynyl]oxirane.

Molecular Properties

Compound Name2-[(E)-oct-1-en-3-ynyl]oxirane
PubChem CID5324175
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-[(E)-oct-1-en-3-ynyl]oxirane
SMILESCCCCC#C/C=C/C1CO1
InChIInChI=1S/C10H14O/c1-2-3-4-5-6-7-8-10-9-11-10/h7-8,10H,2-4,9H2,1H3/b8-7+
InChIKeyAIEQWWXBIWZCJO-BQYQJAHWSA-N
XLogP2.13
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-oct-1-en-3-ynyl]oxirane?
The IUPAC name of 2-[(E)-oct-1-en-3-ynyl]oxirane (CID 5324175) is 2-[(E)-oct-1-en-3-ynyl]oxirane.
What is the SMILES notation for 2-[(E)-oct-1-en-3-ynyl]oxirane?
The canonical SMILES for 2-[(E)-oct-1-en-3-ynyl]oxirane is CCCCC#C/C=C/C1CO1.
What is the InChIKey of 2-[(E)-oct-1-en-3-ynyl]oxirane?
The InChIKey is AIEQWWXBIWZCJO-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H14O/c1-2-3-4-5-6-7-8-10-9-11-10/h7-8,10H,2-4,9H2,1H3/b8-7+.
What are the key properties of 2-[(E)-oct-1-en-3-ynyl]oxirane?
2-[(E)-oct-1-en-3-ynyl]oxirane has a molecular weight of 150.22 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-oct-1-en-3-ynyl]oxirane is sourced from PubChem (CID 5324175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).