2,4-Pentadiyn-1-ol

C5H4O — CID 638105

IUPACpenta-2,4-diyn-1-ol
SMILESC#CC#CCO
InChIInChI=1S/C5H4O/c1-2-3-4-5-6/h1,6H,5H2
InChIKeyUZPGJRUGZGUXDE-UHFFFAOYSA-N
MW80.09 g/mol
LogP-0.38
Rot. Bonds

About 2,4-Pentadiyn-1-ol

2,4-Pentadiyn-1-ol (PubChem CID 638105) has the molecular formula C5H4O and a molecular weight of 80.09 g/mol. Its IUPAC name is penta-2,4-diyn-1-ol.

Molecular Properties

Compound Name2,4-Pentadiyn-1-ol
PubChem CID638105
Molecular FormulaC5H4O
Molecular Weight80.09 g/mol
Exact Mass80.03
IUPAC Namepenta-2,4-diyn-1-ol
SMILESC#CC#CCO
InChIInChI=1S/C5H4O/c1-2-3-4-5-6/h1,6H,5H2
InChIKeyUZPGJRUGZGUXDE-UHFFFAOYSA-N
XLogP-0.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.09
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-Pentadiyn-1-ol?
The IUPAC name of 2,4-Pentadiyn-1-ol (CID 638105) is penta-2,4-diyn-1-ol.
What is the SMILES notation for 2,4-Pentadiyn-1-ol?
The canonical SMILES for 2,4-Pentadiyn-1-ol is C#CC#CCO.
What is the InChIKey of 2,4-Pentadiyn-1-ol?
The InChIKey is UZPGJRUGZGUXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O/c1-2-3-4-5-6/h1,6H,5H2.
What are the key properties of 2,4-Pentadiyn-1-ol?
2,4-Pentadiyn-1-ol has a molecular weight of 80.09 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-Pentadiyn-1-ol is sourced from PubChem (CID 638105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).