5-prop-2-ynoxypent-2-yne

C8H10O — CID 14526705

IUPAC5-prop-2-ynoxypent-2-yne
SMILESC#CCOCCC#CC
InChIInChI=1S/C8H10O/c1-3-5-6-8-9-7-4-2/h2H,6-8H2,1H3
InChIKeyWAUHXRQXLQSQMF-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.05
Rot. Bonds3

About 5-prop-2-ynoxypent-2-yne

5-prop-2-ynoxypent-2-yne (PubChem CID 14526705) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 5-prop-2-ynoxypent-2-yne.

Molecular Properties

Compound Name5-prop-2-ynoxypent-2-yne
PubChem CID14526705
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name5-prop-2-ynoxypent-2-yne
SMILESC#CCOCCC#CC
InChIInChI=1S/C8H10O/c1-3-5-6-8-9-7-4-2/h2H,6-8H2,1H3
InChIKeyWAUHXRQXLQSQMF-UHFFFAOYSA-N
XLogP1.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-prop-2-ynoxypent-2-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-ynoxypent-2-yne?
The IUPAC name of 5-prop-2-ynoxypent-2-yne (CID 14526705) is 5-prop-2-ynoxypent-2-yne.
What is the SMILES notation for 5-prop-2-ynoxypent-2-yne?
The canonical SMILES for 5-prop-2-ynoxypent-2-yne is C#CCOCCC#CC.
What is the InChIKey of 5-prop-2-ynoxypent-2-yne?
The InChIKey is WAUHXRQXLQSQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-3-5-6-8-9-7-4-2/h2H,6-8H2,1H3.
What are the key properties of 5-prop-2-ynoxypent-2-yne?
5-prop-2-ynoxypent-2-yne has a molecular weight of 122.17 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-ynoxypent-2-yne is sourced from PubChem (CID 14526705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).