Basic information
- CAS
695-30-7- Standard SMILES
CC1(C)OCCCO1- InChIKey
RPLSBADGISFNSI-UHFFFAOYSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.08372962
Names & identifiers
- Preferred name
- 2,2-Dimethyl-1,3-dioxane
- IUPAC
- 2,2-dimethyl-1,3-dioxane
- English name
- 1,3-BUTYLENE GLYCOL ACETAL
- Molecular formula
- C6H12O2
- Molecular weight
- 116.15828
Names & synonyms
2,2-Dimethyl-1,3-dioxane695-30-7DTXSID30219729RefChem:1059102DTXCID301422201,3-Dioxane, 2,2-dimethyl-51133-90-5NSC193331m-Dioxane,2-dimethyl-SCHEMBL3262852,2-Dimethyl-[1,3]dioxaneSCHEMBL1060050
Show more names
1,3-BUTYLENE GLYCOL ACETAL
SCHEMBL1414001SCHEMBL1936942SCHEMBL2670389SCHEMBL18919239RPLSBADGISFNSI-UHFFFAOYSA-NNSC 193331NSC-193331DB-239425
Database identifiers
- CAS
695-30-7- PubChem CID
- 39902
- DTXSID
DTXSID30219729- Nikkaji
- J594.752I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 70.6
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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