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Butan-2-yl but-2-enoate

HCID 139137
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC=CC(=O)OC(C)CC
InChIKey
KAKJZWSUVDRWQU-UHFFFAOYSA-N
Molecular formula
C8H14O2
Average molar mass
142.2 g/mol
Monoisotopic mass
142.09937969

Names & identifiers

Preferred name
Butan-2-yl but-2-enoate
IUPAC
butan-2-yl but-2-enoate

Names & synonyms

SCHEMBL1881287SCHEMBL22654585SCHEMBL28278510

Database identifiers

PubChem CID
139137

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
10
Formal charge
0
Complexity
127

Related reactions

2 records
New reaction record
HRID 169169 reaction equation
HRID 169169As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1224356 reaction equation
HRID 1224356As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes