Completing data — usually done within a minute
Basic information
- CAS
1073-14-9- Standard SMILES
CC1(C)C=CC(=O)C=C1- InChIKey
YKDJBIPPVNMAGR-UHFFFAOYSA-N- Molecular formula
- C8H10O
- Average molar mass
- 122.16 g/mol
- Monoisotopic mass
- 122.07316494
Names & identifiers
- Preferred name
- 2,5-Cyclohexadien-1-one, 4,4-dimethyl-
- IUPAC
- 4,4-dimethylcyclohexa-2,5-dien-1-one
Names & synonyms
1073-14-92,5-cyclohexadien-1-one, 4,4-dimethyl-DTXSID10339459RefChem:1060048DTXCID002905404,4-dimethylcyclohexa-2,5-dien-1-one4,4-DimethylcyclohexadienoneSCHEMBL11000114,4-dimethyl-2,5-cyclohexadienone4,4-Dimethyl-cyclohexa-2,5-dienone4,4-Dimethyl-2,5-cyclohexadien-1-one #H95571
Show more names
F572209InChI=1/C8H10O/c1-8(2)5-3-7(9)4-6-8/h3-6H,1-2H
Database identifiers
- CAS
1073-14-9- PubChem CID
- 556333
- DTXSID
DTXSID10339459- Nikkaji
- J527.891K
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 167
Experimental & physicochemical properties
SpringerMaterials PropertiesElectric dipole moment
Related reactions
2 records
Compound notes
Loading…