1,3-Dioxepan-5-ol, 2,2,6-trimethyl-, (5S-trans)-
Basic information
- CAS
59042-52-3- Standard SMILES
C[C@@H]1COC(C)(C)OC[C@H]1O- InChIKey
YEMGBDLHCNZQKY-RNFRBKRXSA-N- Molecular formula
- C8H16O3
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.10994437
Names & identifiers
- Preferred name
- 1,3-Dioxepan-5-ol, 2,2,6-trimethyl-, (5S-trans)-
- IUPAC
- (5S,6R)-2,2,6-trimethyl-1,3-dioxepan-5-ol
Names & synonyms
1,3-Dioxepan-5-ol, 2,2,6-trimethyl-, (5S-trans)-DTXSID30123793459042-52-3(5S,6R)-2,2,6-trimethyl-1,3-dioxepan-5-ol
Database identifiers
- CAS
59042-52-3- PubChem CID
- 13617010
- DTXSID
DTXSID301237934
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 133
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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