3,5-Dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-one

HCID 302327

Notes Reactions

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Basic information

CAS: 6670-28-6
Standard SMILES: Cc1cc(C)c2c(c1)CC2=O
InChIKey: LWHHDDZFBOKZDJ-UHFFFAOYSA-N
Molecular formula: C10H10O
Average molar mass: 146.19 g/mol
Monoisotopic mass: 146.07316494

Names & identifiers

Preferred name: 3,5-Dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-one
IUPAC: 3,5-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-one

Names & synonyms

6670-28-63,5-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-oneNSC186240ghl.PD_Mitscher_leg0.53SCHEMBL9714539DTXSID50307036LWHHDDZFBOKZDJ-UHFFFAOYSA-N4,6-Dimethylbenzocyclobut-en-1-oneAKOS004907558NSC-186240

Database identifiers

CAS: 6670-28-6
PubChem CID: 302327
DTXSID: DTXSID50307036

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 185

Related reactions

2 records

New reaction record

HRID 100032As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 236248As reactantuspto-grants-1987_02

Compound notes

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