2,3-bis(but-2-ynyl)oxirane

C10H12O — CID 21452223

IUPAC2,3-bis(but-2-ynyl)oxirane
SMILESCC#CCC1OC1CC#CC
InChIInChI=1S/C10H12O/c1-3-5-7-9-10(11-9)8-6-4-2/h9-10H,7-8H2,1-2H3
InChIKeyLQTYRZIILKBZHD-UHFFFAOYSA-N
MW148.20 g/mol
LogP1.58
Rot. Bonds2

About 2,3-bis(but-2-ynyl)oxirane

2,3-bis(but-2-ynyl)oxirane (PubChem CID 21452223) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 2,3-bis(but-2-ynyl)oxirane.

Molecular Properties

Compound Name2,3-bis(but-2-ynyl)oxirane
PubChem CID21452223
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name2,3-bis(but-2-ynyl)oxirane
SMILESCC#CCC1OC1CC#CC
InChIInChI=1S/C10H12O/c1-3-5-7-9-10(11-9)8-6-4-2/h9-10H,7-8H2,1-2H3
InChIKeyLQTYRZIILKBZHD-UHFFFAOYSA-N
XLogP1.58
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 2,3-bis(but-2-ynyl)oxirane?
The IUPAC name of 2,3-bis(but-2-ynyl)oxirane (CID 21452223) is 2,3-bis(but-2-ynyl)oxirane.
What is the SMILES notation for 2,3-bis(but-2-ynyl)oxirane?
The canonical SMILES for 2,3-bis(but-2-ynyl)oxirane is CC#CCC1OC1CC#CC.
What is the InChIKey of 2,3-bis(but-2-ynyl)oxirane?
The InChIKey is LQTYRZIILKBZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-3-5-7-9-10(11-9)8-6-4-2/h9-10H,7-8H2,1-2H3.
What are the key properties of 2,3-bis(but-2-ynyl)oxirane?
2,3-bis(but-2-ynyl)oxirane has a molecular weight of 148.20 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(but-2-ynyl)oxirane is sourced from PubChem (CID 21452223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).