1,4:3,6-Dianhydro-2,5-di-O-methylhexitol
Basic information
- Standard SMILES
COC1COC2C(OC)COC12- InChIKey
MEJYDZQQVZJMPP-UHFFFAOYSA-N- Molecular formula
- C8H14O4
- Average molar mass
- 174.19 g/mol
- Monoisotopic mass
- 174.08920892
Names & identifiers
- Preferred name
- 1,4:3,6-Dianhydro-2,5-di-O-methylhexitol
- IUPAC
- 3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
Names & synonyms
1,4:3,6-dianhydro-2,5-di-o-methylhexitolDTXSID60863517RefChem:1053384DTXCID908121193,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furandimethyl isosorbide etherdimethyl isosorbide, ResCoSCHEMBL1368298Dimethyl isosorbide Cosmetic gradeMEJYDZQQVZJMPP-UHFFFAOYSA-NAKOS015916593DB-052249
Show more names
NS00010776BRD-A17224697-001-01-0
Database identifiers
- PubChem CID
- 237322
- DTXSID
DTXSID60863517- Nikkaji
- J2.435.383D
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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