4-(5-Hydroxy-4,8-dimethyl-7-nonenyl)-4-methyl-3,8-dioxabicyclo(3.2.1)octane-1-acetic acid
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Basic information
- CAS
67441-54-7- Standard SMILES
CC(C)=CCC(O)C(C)CCCC1(C)OCC2(CC(=O)O)CCC1O2- InChIKey
WOPYURXQWMHYFG-UHFFFAOYSA-N- Molecular formula
- C20H34O5
- Average molar mass
- 354.5 g/mol
- Monoisotopic mass
- 354.24062418
Names & identifiers
- Preferred name
- 4-(5-Hydroxy-4,8-dimethyl-7-nonenyl)-4-methyl-3,8-dioxabicyclo(3.2.1)octane-1-acetic acid
- IUPAC
- 2-[4-(5-hydroxy-4,8-dimethylnon-7-enyl)-4-methyl-3,8-dioxabicyclo[3.2.1]octan-1-yl]acetic acid
- English name
- 4-(5-Hydroxy-4,8-dimethyl-7-nonenyl)-4-methyl-3,8-dioxabicyclo[3.2.1]octane-1-acetic acid
- Molecular formula
- C20H34O5
- Molecular weight
- 354.48
Names & synonyms
4-(5-Hydroxy-4,8-dimethyl-7-nonenyl)-4-methyl-3,8-dioxabicyclo(3.2.1)octane-1-acetic acidRefChem:91221667441-54-73,8-Dioxabicyclo(3.2.1)octane-1-acetic acid, 4-(4,8-dimethyl-5-hydroxy-7-nonenyl)-4-methyl-SCHEMBL10845466DTXSID809867172-[4-(5-hydroxy-4,8-dimethylnon-7-enyl)-4-methyl-3,8-dioxabicyclo[3.2.1]octan-1-yl]acetic acid2,7:3,6-dianhydro-6-(carboxymethyl)-1,4,5-trideoxy-2-(5-hydroxy-4,8-dimethylnon-7-en-1-yl)heptitol4-(5-Hydroxy-4,8-dimethyl-7-nonenyl)-4-methyl-3,8-dioxabicyclo[3.2.1]octane-1-acetic acid3,8-Dioxabicyclo[3.2.1]octane-1-acetic acid, 4-(5-hydroxy-4,8-dimethyl-7-nonenyl)-4-methyl- (9CI)
Database identifiers
- CAS
67441-54-7- PubChem CID
- 134356
- DTXSID
DTXSID80986717- Nikkaji
- J327.331H
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 498
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
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Compound notes
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