Basic information
- CAS
4718-48-3- Standard SMILES
C#CC(O)C1OC2OC(C)(C)OC2C1O- InChIKey
XTULEORPKKVDJV-UHFFFAOYSA-N- Molecular formula
- C10H14O5
- Average molar mass
- 214.21 g/mol
- Monoisotopic mass
- 214.08412354
Names & identifiers
- Preferred name
- 3-(1-Hydroxyprop-2-ynyl)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]octan-4-ol
- IUPAC
- 5-(1-hydroxyprop-2-ynyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
Names & synonyms
4718-48-3NSC1430046,7-dideoxy-1,2-o-(1-methylethylidene)hept-6-ynofuranose3-(1-hydroxyprop-2-ynyl)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]octan-4-olDTXSID90301391NSC-143004DS-013755
Database identifiers
- CAS
4718-48-3- PubChem CID
- 285682
- DTXSID
DTXSID90301391
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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