2-methylbut-3-yn-2-ol

C5H8O — CID 8258

IUPAC2-methylbut-3-yn-2-ol
SMILESC#CC(C)(C)O
InChIInChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3
InChIKeyCEBKHWWANWSNTI-UHFFFAOYSA-N
MW84.12 g/mol
LogP0.39
Rot. Bonds

About 2-methylbut-3-yn-2-ol

2-methylbut-3-yn-2-ol (PubChem CID 8258) has the molecular formula C5H8O and a molecular weight of 84.12 g/mol. Its IUPAC name is 2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name2-methylbut-3-yn-2-ol
PubChem CID8258
Molecular FormulaC5H8O
Molecular Weight84.12 g/mol
Exact Mass84.06
IUPAC Name2-methylbut-3-yn-2-ol
SMILESC#CC(C)(C)O
InChIInChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3
InChIKeyCEBKHWWANWSNTI-UHFFFAOYSA-N
XLogP0.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-1-pentyn-3-ol
CID 6494
2,5-Dimethyl-3-hexyne-2,5-diol
CID 8883
2,7-Dimethylocta-3,5-diyne-2,7-diol
CID 80036
2-Methylpent-4-yn-2-ol
CID 234735
2-Methyl-3-hexyn-2-ol
CID 4066093
3-Pentyn-2-ol, 3-methyl-
CID 136375
3-Methyl-4-hexyn-3-ol
CID 522086
3-Heptyn-2-ol, 2-methyl-
CID 566135
(3S)-3-methylpent-1-yn-3-ol
CID 639841
3,5-Hexadiyn-2-ol, 2-methyl-
CID 11228772
3-Methylpenta-1,4-diyn-3-ol
CID 11829365
4-Methylhepta-2,5-diyn-4-ol
CID 10877102

Frequently Asked Questions

What is the IUPAC name of 2-methylbut-3-yn-2-ol?
The IUPAC name of 2-methylbut-3-yn-2-ol (CID 8258) is 2-methylbut-3-yn-2-ol.
What is the SMILES notation for 2-methylbut-3-yn-2-ol?
The canonical SMILES for 2-methylbut-3-yn-2-ol is C#CC(C)(C)O.
What is the InChIKey of 2-methylbut-3-yn-2-ol?
The InChIKey is CEBKHWWANWSNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3.
What are the key properties of 2-methylbut-3-yn-2-ol?
2-methylbut-3-yn-2-ol has a molecular weight of 84.12 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbut-3-yn-2-ol is sourced from PubChem (CID 8258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).