Methyl 3-hydroxy-2-isobutyl-6-heptenoate

HCID 86646133
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CCCC(O)C(CC(C)C)C(=O)OC
InChIKey
IIDNREFSLQDNDF-UHFFFAOYSA-N
Molecular formula
C12H22O3
Average molar mass
214.3 g/mol
Monoisotopic mass
214.15689456

Names & identifiers

Preferred name
Methyl 3-hydroxy-2-isobutyl-6-heptenoate
IUPAC
methyl 3-hydroxy-2-(2-methylpropyl)hept-6-enoate

Names & synonyms

SCHEMBL1885675IIDNREFSLQDNDF-UHFFFAOYSA-NMethyl 3-hydroxy-2-isobutyl-6-heptenoate

Database identifiers

PubChem CID
86646133

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
15

Related reactions

2 records
New reaction record

Compound notes

Loading…