Basic information
- Standard SMILES
CCCc1c(OCCCCCC(=O)OC)ccc(C(C)=O)c1O- InChIKey
VCDSWJUUMCRNLT-UHFFFAOYSA-N- Molecular formula
- C18H26O5
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.17802393
Names & identifiers
- Preferred name
- Methyl 6-(4-acetyl-3-hydroxy-2-propylphenoxy)hexanoate
- IUPAC
- methyl 6-(4-acetyl-3-hydroxy-2-propylphenoxy)hexanoate
Names & synonyms
88420-36-46-(4-acetyl-3-hydroxy-2-propylphenoxy)hexanoic acid methyl esterMETHYL 6-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)HEXANOATESCHEMBL10685300DTXSID10559019VCDSWJUUMCRNLT-UHFFFAOYSA-NDB-1860376-(4-Acetyl-3-hydroxy-2-propylphenoxy) hexanoic acid methyl ester
Database identifiers
- CAS
88420-36-4- PubChem CID
- 14330007
- DTXSID
DTXSID10559019
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 368
Related reactions
11 records
Linked notes
Loading…