Basic information
- CAS
5653-70-3- Standard SMILES
CC1OCC(CO)(CO)CO1- InChIKey
QYSOFXYWZFPSCB-UHFFFAOYSA-N- Molecular formula
- C7H14O4
- Average molar mass
- 162.18 g/mol
- Monoisotopic mass
- 162.08920892
Names & identifiers
- Preferred name
- 2-Methyl-1,3-dioxane-5,5-dimethanol
- IUPAC
- [5-(hydroxymethyl)-2-methyl-1,3-dioxan-5-yl]methanol
- English name
- 2-methyl-1,3-dioxane-5,5-dimethanol
- Molecular formula
- C7H14O4
- Molecular weight
- 162.18366
Names & synonyms
2-Methyl-1,3-dioxane-5,5-dimethanol5653-70-3[5-(hydroxymethyl)-2-methyl-1,3-dioxan-5-yl]methanol1,3-dioxane-5,5-dimethanol, 2-methyl-LG53NEA7WN(2-methyl-1,3-dioxane-5,5-diyl)dimethanolEINECS 227-100-9UNII-LG53NEA7WNSCHEMBL9809615DTXSID80205091NS00033541
Database identifiers
- CAS
5653-70-3- PubChem CID
- 79739
- DTXSID
DTXSID80205091- UNII
- LG53NEA7WN
- EC Number
- 227-100-9
- Nikkaji
- J225.075F
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- FDA UNII
- 53 NEA7WN · LG53NEA7WN
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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