Basic information
- CAS
13423-63-7- Standard SMILES
CCC1(CC)COC(=O)OC1- InChIKey
JJCRWNPMISIXJF-UHFFFAOYSA-N- Molecular formula
- C8H14O3
- Average molar mass
- 158.19 g/mol
- Monoisotopic mass
- 158.0942943
Names & identifiers
- Preferred name
- 5,5-Diethyl-1,3-dioxan-2-one
- IUPAC
- 5,5-diethyl-1,3-dioxan-2-one
- English name
- 5,5-diethyl-1,3-dioxan-2-one
- Molecular formula
- C8H14O3
- Molecular weight
- 158.2
Names & synonyms
5,5-diethyl-1,3-dioxan-2-one13423-63-7DTXSID60296301RefChem:298300DTXCID60247439NSC108727SCHEMBL480105,5-diethyl-m-dioxan-2-oneAKOS024337468NSC-1087271,3-Dioxan-2-one, 5,5-diethyl-
Database identifiers
- CAS
13423-63-7- PubChem CID
- 268487
- DTXSID
DTXSID60296301- Nikkaji
- J968.708D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Melting point
- 45 · 45-46 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
- Boiling point
- 131 · 131-132 °C(Press: 2 Torr)
- Density
- 0.997 · 0.997±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers4 total
上海平创化工科技有限公司15001988657 15802146997 · [email protected]
NEW SANITARY INTERNATIONAL LIMITED+86-13611854774 15502117565 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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