1,3-Cyclohexanedione, 2,5,5-trimethyl-

HCID 136901

Notes Reactions

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Basic information

CAS: 1125-11-7
Standard SMILES: CC1C(=O)CC(C)(C)CC1=O
InChIKey: WJTGLPHMQKJRIX-UHFFFAOYSA-N
Molecular formula: C9H14O2
Average molar mass: 154.21 g/mol
Monoisotopic mass: 154.09937969

Names & identifiers

Preferred name: 1,3-Cyclohexanedione, 2,5,5-trimethyl-
IUPAC: 2,5,5-trimethylcyclohexane-1,3-dione

Names & synonyms

2-Methyldimedone1,3-Cyclohexanedione, 2,5,5-trimethyl-2,5,5-Trimethyl-1,3-cyclohexanedioneDTXSID50150069NSC 122104RefChem:218199DTXCID0072560WJTGLPHMQKJRIX-UHFFFAOYSA-N2,5,5-trimethylcyclohexane-1,3-dione1125-11-7NSC-122104NSC122104

Show more names

1, 2,5,5-trimethyl-QEL2HM4Z85SCHEMBL3682652,5-Trimethyl-1,3-cyclohexanedioneAKOS015906571HS-80682,5,5-trimethyl-cyclohexane-1,3-dione

Database identifiers

CAS: 1125-11-7
PubChem CID: 136901
DTXSID: DTXSID50150069
UNII: QEL2HM4Z85
Nikkaji: J100.149C

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 184

Related reactions

1 records

New reaction record

HRID 1421650As productuspto-grants-2000_06

Compound notes

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