Basic information
- CAS
29839-61-0- Standard SMILES
OC1CCC2(CCCC2)OC1- InChIKey
UGOZCCCOINCWMR-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- 1-Oxaspiro(4.5)decan-3-ol
- IUPAC
- 6-oxaspiro[4.5]decan-8-ol
- English name
- 3-hydroxy-5-spirocyclohexyltetrahydrofuran
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
BRN 01060325-17-03-00246 (Beilstein Handbook Reference)RefChem:2327881-Oxaspiro(4.5)decan-3-ol29839-61-06-oxaspiro[4.5]decan-8-olSCHEMBL26444547DTXSID60952278EBA839611-Oxaspiro[4.5]decan-3-ol3-hydroxy-5-spirocyclohexyltetrahydrofuran
Database identifiers
- CAS
29839-61-0- PubChem CID
- 34718
- DTXSID
DTXSID60952278
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 240.47 °C · 240.47°C (rough estimate)
- Density
- 0.9885 · 0.9885 (rough estimate)
- refractive index
- 1.459 · 1.4590 (estimate)
- pka
- 14.39 · 14.39±0.20(Predicted)
- Water Solubility
- 19.61 g/L · 19.61g/L(room temperature)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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