5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalene-2,3-dione

HCID 13807275

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 116393-12-5
Standard SMILES: CC1(C)CCC(C)(C)C2=CC(=O)C(=O)C=C21
InChIKey: XWCYUORBCXADRM-UHFFFAOYSA-N
Molecular formula: C14H18O2
Average molar mass: 218.29 g/mol
Monoisotopic mass: 218.13067981

Names & identifiers

Preferred name: 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalene-2,3-dione
IUPAC: 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2,3-dione

Names & synonyms

116393-12-55,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalene-2,3-dioneDTXSID40550094RefChem:298261DTXCID005008785,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2,3-naphthoquinone

Database identifiers

CAS: 116393-12-5
PubChem CID: 13807275
DTXSID: DTXSID40550094
Nikkaji: J2.817.167F

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 392

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…