3-Pentyn-2-one, 5-methoxy-

HCID 83303

Notes Reactions

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Basic information

CAS: 13286-13-0
Standard SMILES: COCC#CC(C)=O
InChIKey: OLVDTZHGJBXKBW-UHFFFAOYSA-N
Molecular formula: C6H8O2
Average molar mass: 112.13 g/mol
Monoisotopic mass: 112.05242949

Names & identifiers

Preferred name: 3-Pentyn-2-one, 5-methoxy-
IUPAC: 5-methoxypent-3-yn-2-one
English name: 5-Methoxy-3-pentyn-2-one
Molecular formula: C6H8O2
Molecular weight: 112.13

Names & synonyms

5-Methoxy-3-pentyn-2-one13286-13-03-Pentyn-2-one, 5-methoxy-BRN 2322901DTXSID10157817RefChem:281615DTXCID70803085-methoxypent-3-yn-2-oneSCHEMBL12498404OLVDTZHGJBXKBW-UHFFFAOYSA-N

Database identifiers

CAS: 13286-13-0
PubChem CID: 83303
DTXSID: DTXSID10157817
Nikkaji: J69.101A

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 135

Related reactions

3 records

New reaction record

HRID 1501616As reactantuspto-grants-2015_12

HRID 1854063As reactantuspto-grants-2015_02

HRID 1909247As reactantuspto-grants-2013_12

Compound notes

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