4-Tert-butoxy-cyclopent-2-enone

HCID 11062596CAS 73448-15-4
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC1C=CC(=O)C1
InChIKey
BKXMCMSBKYTEIA-UHFFFAOYSA-N
Molecular formula
C9H14O2
Average molar mass
154.21 g/mol
Monoisotopic mass
154.09937969

Names & identifiers

Preferred name
4-Tert-butoxy-cyclopent-2-enone
IUPAC
4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one

Names & synonyms

4-tert-butoxy-cyclopent-2-enone73448-15-4SCHEMBL8577970BKXMCMSBKYTEIA-UHFFFAOYSA-NDTXSID8012680854-tert-Butoxycyclopent-2-en-1-one4-(1,1-Dimethylethoxy)-2-cyclopenten-1-one

Database identifiers

CAS
73448-15-4
PubChem CID
11062596
DTXSID
DTXSID801268085
Nikkaji
J403.405H

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
11

Related reactions

4 records
New reaction record

Linked notes

Loading…