2,6-Dioxaspiro(3.3)heptane
Basic information
- CAS
174-79-8- Standard SMILES
C1OCC12COC2- InChIKey
XQLZHIBLSSHZAL-UHFFFAOYSA-N- Molecular formula
- C5H8O2
- Average molar mass
- 100.12 g/mol
- Monoisotopic mass
- 100.05242949
Names & identifiers
- Preferred name
- 2,6-Dioxaspiro(3.3)heptane
- IUPAC
- 2,6-dioxaspiro[3.3]heptane
- English name
- 2,6-dioxaspiro[3.3]heptane
- Molecular formula
- C5H8O2
- Molecular weight
- 100.12
Names & synonyms
2,6-dioxaspiro[3.3]heptane174-79-82,6-DIOXASPIRO(3.3)HEPTANEBRN 0103147UNII-4046SYP4FC4046SYP4FCDTXSID401697414-19-00-00114 (Beilstein Handbook Reference)RefChem:83356DTXCID1092232MFCD01730191SCHEMBL799418
Show more names
2,6-Dioxaspiro[3.3]heptane - D6196
AKOS015840970AB09876PS-9395SY3188912,6-Dioxaspiro[3.3]heptane, AldrichCPRDB-003245Q27258280
Database identifiers
- CAS
174-79-8- PubChem CID
- 9089
- DTXSID
DTXSID40169741- UNII
- 4046SYP4FC
- Nikkaji
- J2.143.692E
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 66.6
Physicochemical properties
- Melting point
- 89 · 89-90 °C
- Boiling point
- 168 · 168-173 °C(Press: 750 Torr)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- InChI
- 1S/C5H8O2/c1-5(2-6-1)3-7-4-5/h1-4H2
- InChIKey
- XQLZHIBLSSHZAL-UHFFFAOYSA-N
- SMILES
- C1OCC12COC2
- FDA UNII
- 4046 SYP4FC · 4046SYP4FC
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- WGK Germany
- 3 · 3
- HS Code
- 2933399990 · 2933399990
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 2933399990
- Storage Class
- 11 - Combustible Solids
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Compound notes
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