Methylbutynol

HCID 148036CAS 37365-71-2
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Basic information

Standard SMILES
CC(C)C#CO
InChIKey
JQZGUQIEPRIDMR-UHFFFAOYSA-N
Molecular formula
C5H8O
Average molar mass
84.12 g/mol
Monoisotopic mass
84.05751488

Names & identifiers

Preferred name
Methylbutynol
IUPAC
3-methylbut-1-yn-1-ol
English name
Methylbutynol【general】
Molecular formula
C5H8O
Molecular weight
84.12

Names & synonyms

MethylbutynolButynol, methyl-DTXSID5068027RefChem:158148DTXCID40393183-Methyl butynol37365-71-23-methylbut-1-yn-1-ol3-methyl-1-butyn-1-ol99807-58-6SCHEMBL27077SCHEMBL1315446
Show more names
Methylbutynol【general】
JQZGUQIEPRIDMR-UHFFFAOYSA-NAKOS015900538DA-23402

Database identifiers

CAS
37365-71-2
PubChem CID
148036
DTXSID
DTXSID5068027

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
6

Physicochemical properties

Boiling point
95 · 95-99 °C
EPA Substance Registry System
Methylbutynol (37365-71-2)

Related reactions

2 records
New reaction record

Linked notes

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