but-2-yn-1-ol;prop-2-yn-1-ol

C7H10O2 — CID 175066022

IUPACbut-2-yn-1-ol;prop-2-yn-1-ol
SMILESC#CCO.CC#CCO
InChIInChI=1S/C4H6O.C3H4O/c1-2-3-4-5;1-2-3-4/h5H,4H2,1H3;1,4H,3H2
InChIKeyARGHVWBYRTVGPN-UHFFFAOYSA-N
MW126.15 g/mol
LogP-0.39
Rot. Bonds

About but-2-yn-1-ol;prop-2-yn-1-ol

but-2-yn-1-ol;prop-2-yn-1-ol (PubChem CID 175066022) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is but-2-yn-1-ol;prop-2-yn-1-ol.

Molecular Properties

Compound Namebut-2-yn-1-ol;prop-2-yn-1-ol
PubChem CID175066022
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Namebut-2-yn-1-ol;prop-2-yn-1-ol
SMILESC#CCO.CC#CCO
InChIInChI=1S/C4H6O.C3H4O/c1-2-3-4-5;1-2-3-4/h5H,4H2,1H3;1,4H,3H2
InChIKeyARGHVWBYRTVGPN-UHFFFAOYSA-N
XLogP-0.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze but-2-yn-1-ol;prop-2-yn-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl(dimethyl)silane;prop-2-yn-1-ol
CID 174909337
nona-1,4,7-triyne
CID 19849482
dodeca-2,4,6,8,10-pentayn-1-ol
CID 153422692
bicyclo[2.2.0]hexa-1,3,5-triene;prop-2-yn-1-ol
CID 175441763
dodec-2-yn-1-ol;undec-1-yne
CID 159187023
1-methoxy-2,2-dimethylpropane;prop-2-yn-1-ol
CID 88698683
N-but-3-ynylpent-3-yn-1-amine
CID 104806965
but-1-yne;bis(but-2-yne);methane
CID 159335852
1-(prop-2-ynylamino)hex-4-yn-2-one
CID 116589377
bis(but-2-ynyl)-dihydroxy-oxo-λ6-sulfane
CID 88593199
but-2-yne;bis(prop-1-yne)
CID 159474531
1-(prop-2-ynylamino)hept-5-yn-2-one
CID 116589646

Frequently Asked Questions

What is the IUPAC name of but-2-yn-1-ol;prop-2-yn-1-ol?
The IUPAC name of but-2-yn-1-ol;prop-2-yn-1-ol (CID 175066022) is but-2-yn-1-ol;prop-2-yn-1-ol.
What is the SMILES notation for but-2-yn-1-ol;prop-2-yn-1-ol?
The canonical SMILES for but-2-yn-1-ol;prop-2-yn-1-ol is C#CCO.CC#CCO.
What is the InChIKey of but-2-yn-1-ol;prop-2-yn-1-ol?
The InChIKey is ARGHVWBYRTVGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O.C3H4O/c1-2-3-4-5;1-2-3-4/h5H,4H2,1H3;1,4H,3H2.
What are the key properties of but-2-yn-1-ol;prop-2-yn-1-ol?
but-2-yn-1-ol;prop-2-yn-1-ol has a molecular weight of 126.15 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-yn-1-ol;prop-2-yn-1-ol is sourced from PubChem (CID 175066022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).