Basic information
- CAS
16060-78-9- Standard SMILES
COC(=O)C1=CC[C@H]([C@H](C)CC(=O)C=C(C)C)CC1- InChIKey
DEMNMQDWPCIOLA-OLZOCXBDSA-N- Molecular formula
- C16H24O3
- Average molar mass
- 264.36 g/mol
- Monoisotopic mass
- 264.17254462
Overview
Dehydrojuvabione is a sesquiterpenoid.
Names & identifiers
- Preferred name
- Dehydrojuvabione
- IUPAC
- methyl (4R)-4-[(2R)-6-methyl-4-oxohept-5-en-2-yl]cyclohexene-1-carboxylate
- English name
- DEHYDROJUVABIONE
- Molecular formula
- C16H24O3
- Molecular weight
- 264.36
Names & synonyms
Dehydrojuvabione16060-78-9Juvabione, dehydro-(4R)-4-[(1R)-1,5-Dimethyl-3-oxo-4-hexenyl]-1-cyclohexene-1-carboxylic acid methyl estermethyl (4R)-4-[(1R)-1,5-dimethyl-3-oxo-hex-4-enyl]cyclohexene-1-carboxylate(+)-.delta.4'-Dehydrojuvabione(4R)-4-((1R)-1,5-Dimethyl-3-oxo-4-hexenyl)-1-cyclohexene-1-carboxylate methyl ester(4R)-4-((1R)-1,5-Dimethyl-3-oxo-4-hexenyl)-1-cyclohexene-1-carboxylic acid methyl ester(4R)-4-[(1R)-1,5-Dimethyl-3-oxo-4-hexenyl]-1-cyclohexene-1-carboxylate methyl estermethyl (4R)-4-((1R)-1,5-dimethyl-3-oxo-hex-4-enyl)cyclohexene-1-carboxylate1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxo-4-hexenyl)-, methyl ester, [R-(R*,R*)]-4'-Dehydrojuvabione
Show more names
1-Cyclohexene-1-carboxylic acid, 4-[(1R)-1,5-dimethyl-3-oxo-4-hexen-1-yl]-, methyl ester, (4R)-
RefChem:131522(+)-delta4'-Dehydrojuvabione1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxo-4-hexenyl)-, methyl ester, (R-(R*,R*))-DEMNMQDWPCIOLA-UHFFFAOYSA-NC096571-Cyclohexene-1-carboxylic acid, 4-((1R)-1,5-dimethyl-3-oxo-4-hexenyl)-, methyl ester, (4R)-1-Cyclohexene-1-carboxylic acid, 4-[(1R)-1,5-dimethyl-3-oxo-4-hexenyl]-, methyl ester, (4R)-AC1L393O
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Cyclohexene-1-carboxylic acid, 4-[(1R)-1,5-dimethyl-3-oxo-4-hexenyl]-, methyl ester, (4R)- (16060-78-9)
Chemistry & industry
Additional notes
DefinitionChEBI: Dehydrojuvabione is a sesquiterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…