Basic information
- CAS
24348-06-9- Standard SMILES
CC1(O)CC2C(CC1=O)C2(C)C- InChIKey
ZPUQSQULULBFIN-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- 4-Hydroxy-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one
- IUPAC
- 4-hydroxy-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one
- English name
- 4-hydroxy-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
4-hydroxy-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one85391-89-524348-06-94-Hydroxy-4,7,7-trimethylbicyclo(4.1.0)heptan-3-one36482-69-6EINECS 253-056-5EINECS 246-187-4EINECS 286-845-83-hydroxycaran-4-oneN-EthylacetoacetanilideDTXSID10947199ZPUQSQULULBFIN-UHFFFAOYSA-N
Show more names
Bicyclo[4.1.0]heptan-3-one, 4-hydroxy-4,7,7-trimethyl-
(1R-(1alpha,4alpha,6alpha))-4-Hydroxy-4,7,7-trimethylbicyclo(4.1.0)heptan-3-one(1R-(1alpha,4beta,6alpha))-4-Hydroxy-4,7,7-trimethylbicyclo(4.1.0)heptan-3-oneNS00051940
Database identifiers
- CAS
24348-06-9、36482-69-6、85391-89-5- PubChem CID
- 91172
- DTXSID
DTXSID10947199- EC Number
- 246-187-4、253-056-5、286-845-8
- Nikkaji
- J310.386B
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Boiling point
- 253.1 · 253.1±23.0 °C(Predicted)
- Density
- 1.081 · 1.081±0.06 g/cm3(Predicted)
- pka
- 13.11 · 13.11±0.40(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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