Basic information
- CAS
13941-78-1- Standard SMILES
O.O.OC1(O)C(O)(O)C(O)(O)C(O)(O)C(O)(O)C1(O)O- InChIKey
DALWSVFJYAILQH-UHFFFAOYSA-N- Molecular formula
- C6H16O14
- Average molar mass
- 312.18 g/mol
- Monoisotopic mass
- 312.05400518
Names & identifiers
- Preferred name
- Dodecahydroxycyclohexane dihydrate
- IUPAC
- cyclohexane-1,1,2,2,3,3,4,4,5,5,6,6-dodecol;dihydrate
Names & synonyms
Triquinoyl octahydrateDodecahydroxycyclohexane dihydrateTriquinonyl, octahydrateCyclohexanehexone octahydrateCyclohexanedodecol, dihydrateUNII-5BWD2J7B4W5BWD2J7B4W1,1,2,2,3,3,4,4,5,5,6,6-cyclohexanedodecol, hydrate (1:2)13941-78-1DTXSID70161036RefChem:135398DTXCID2083527
Show more names
HEXAKETOCYCLOHEXANE OCTAHYDRATESCHEMBL21694086Q27261802Cyclohexane-1,1,2,2,3,3,4,4,5,5,6,6-dodecol--water (1/2)
Database identifiers
- CAS
13941-78-1- PubChem CID
- 71586972
- DTXSID
DTXSID70161036- UNII
- 5BWD2J7B4W
Properties
Computed structural properties
- Topological polar surface area
- 245 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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