hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin
Basic information
- CAS
13162-41-9- Standard SMILES
CC1CCC2C(C1)OC(C)OC2(C)C- InChIKey
IUAVIWFKLFEYLT-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin
- IUPAC
- 2,4,4,7-tetramethyl-4a,5,6,7,8,8a-hexahydrobenzo[d][1,3]dioxine
- English name
- hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin
- Molecular formula
- C12H22O2
- Molecular weight
- 198.30188
Names & synonyms
13162-41-9Hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxinEINECS 236-103-4RefChem:146038236-103-42,4,4,7-tetramethyl-4a,5,6,7,8,8a-hexahydrobenzo[d][1,3]dioxineSCHEMBL19705333DTXSID50927293IUAVIWFKLFEYLT-UHFFFAOYSA-NNS000520082,4,4,7-Tetramethylhexahydro-2H,4H-1,3-benzodioxine4H-1,3-Benzodioxin, hexahydro-2,4,4,7-tetramethyl-
Database identifiers
- CAS
13162-41-9- PubChem CID
- 114471
- DTXSID
DTXSID50927293- EC Number
- 236-103-4
- Nikkaji
- J317.842K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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