2-pent-4-ynyloxirane

C7H10O — CID 14970970

IUPAC2-pent-4-ynyloxirane
SMILESC#CCCCC1CO1
InChIInChI=1S/C7H10O/c1-2-3-4-5-7-6-8-7/h1,7H,3-6H2
InChIKeyPWYUJPMCHKZSIA-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.19
Rot. Bonds3

About 2-pent-4-ynyloxirane

2-pent-4-ynyloxirane (PubChem CID 14970970) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-pent-4-ynyloxirane.

Molecular Properties

Compound Name2-pent-4-ynyloxirane
PubChem CID14970970
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name2-pent-4-ynyloxirane
SMILESC#CCCCC1CO1
InChIInChI=1S/C7H10O/c1-2-3-4-5-7-6-8-7/h1,7H,3-6H2
InChIKeyPWYUJPMCHKZSIA-UHFFFAOYSA-N
XLogP1.19
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.19
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-pent-4-ynyloxirane?
The IUPAC name of 2-pent-4-ynyloxirane (CID 14970970) is 2-pent-4-ynyloxirane.
What is the SMILES notation for 2-pent-4-ynyloxirane?
The canonical SMILES for 2-pent-4-ynyloxirane is C#CCCCC1CO1.
What is the InChIKey of 2-pent-4-ynyloxirane?
The InChIKey is PWYUJPMCHKZSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-2-3-4-5-7-6-8-7/h1,7H,3-6H2.
What are the key properties of 2-pent-4-ynyloxirane?
2-pent-4-ynyloxirane has a molecular weight of 110.16 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-ynyloxirane is sourced from PubChem (CID 14970970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).