5-Hydroxy-1-(4-hydroxy-3-methoxycyclohexyl)decan-3-one
Basic information
- CAS
58253-27-3- Standard SMILES
CCCCCC(O)CC(=O)CCC1CCC(O)C(OC)C1- InChIKey
ONQQLFWDTJJQKU-UHFFFAOYSA-N- Molecular formula
- C17H32O4
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.2300595
Names & identifiers
- Preferred name
- 5-Hydroxy-1-(4-hydroxy-3-methoxycyclohexyl)decan-3-one
- IUPAC
- 5-hydroxy-1-(4-hydroxy-3-methoxycyclohexyl)decan-3-one
- English name
- 5-hydroxy-1-(4-hydroxy-3-methoxy-cyclohexyl)decan-3-one
- Molecular formula
- C17H26O4
- Molecular weight
- 0
Names & synonyms
58253-27-35-Hydroxy-1-(4-hydroxy-3-methoxycyclohexyl)decan-3-one5-HYDROXY-1-(4-HYDROXY-3-METHOXY-CYCLOHEXYL)DECAN-3-ONECCRIS 2037DB-325356NS001241163-Decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5S)-, 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone, 6-Gingerol
Database identifiers
- CAS
58253-27-3- PubChem CID
- 42675
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Density
- 1.0713 · 1.0713
- storage temp.
- 20 °C · −20°C
- LogP
- 6.67 · 6.670 (est)
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26-36/37
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- RTECS
- 757000 · HE0757000
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
- rtecs
- HE0757000
- ridadr
- UN 2811 6.1/PG 3
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-36/37
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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