Cyclohexanol, 6-(1,3-benzodioxol-5-ylmethylene)-2-methyl-2-(4-morpholinylmethyl)-
Basic information
- CAS
69920-52-1- Standard SMILES
CC1(CN2CCOCC2)CCC/C(=C\c2ccc3c(c2)OCO3)C1O- InChIKey
KHIMBCVYVVXYKZ-LFIBNONCSA-N- Molecular formula
- C20H27NO4
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.19400834
Names & identifiers
- Preferred name
- Cyclohexanol, 6-(1,3-benzodioxol-5-ylmethylene)-2-methyl-2-(4-morpholinylmethyl)-
- IUPAC
- (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-2-(morpholin-4-ylmethyl)cyclohexan-1-ol
Names & synonyms
Cyclohexanol, 6-(1,3-benzodioxol-5-ylmethylene)-2-methyl-2-(4-morpholinylmethyl)-69920-52-1RefChem:10825616-(1,3-Benzodioxol-5-ylmethylene)-2-methyl-2-(4-morpholinylmethyl)cyclohexanol
Database identifiers
- CAS
69920-52-1- PubChem CID
- 6447019
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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