Basic information
- CAS
19744-85-5- Standard SMILES
CCC(C1=C(O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O- InChIKey
WZFOYJQXRXGQTM-UHFFFAOYSA-N- Molecular formula
- C19H28O4
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.19875937
Names & identifiers
- Preferred name
- 2,2'-Propane-1,1-diylbis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
- IUPAC
- 3-hydroxy-2-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)propyl]-5,5-dimethylcyclohex-2-en-1-one
Names & synonyms
2,2'-propane-1,1-diylbis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)CHEMBL4162673DTXSID801176850HMS1789J07STK150183AKOS001152006AKOS02208050319744-85-5Z1081928862,2a(2)-Propylidenebis[3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one]2,2'-(Propane-1,1-diyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
Database identifiers
- CAS
19744-85-5- PubChem CID
- 3930643
- DTXSID
DTXSID801176850- ChEMBL
CHEMBL4162673- Nikkaji
- J3.529.639E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 553
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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