Basic information
- CAS
77026-84-7- Standard SMILES
C=C(C)[C@H]1CCC(=C)[C@@H](OO)C1- InChIKey
CSOZFPOODGAASP-UWVGGRQHSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Overview
(2S,4S)-2-hydroperoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane has been reported in Dysphania ambrosioides with data available.
Names & identifiers
- Preferred name
- (2S,4S)-2-hydroperoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane
- IUPAC
- trans-(2S,4S)-2-hydroperoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane
- English name
- p-menthadienhydroperoxide,(Z)-p-mentha-1,8-dien-2-hydroperoxide
- Molecular formula
- C10H16O2
- Molecular weight
- 168.24
Names & synonyms
(2S,4S)-2-hydroperoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane5-Isopropenyl-2-methylene-cyclohexyl-hydroperoxideCHEMBL446762DTXSID701017493(1S,5S)-2-methylidene-5-(prop-1-en-2-yl)cyclohexane-1-peroxol(-)-(2R,4S)-p-Mentha-1(7),8-dien-2-hydroperoxide(-)-(2S,4S)-p-Mentha-1(7),8-dien-2-hydroperoxide(1R,5R)-5-isopropenyl-2-methylenecyclohexyl rel-hydroperoxide(1S,5S)-2-methylene-5-(1-methylethenyl)cyclohexyl Hydroperoxidehydroperoxide, (1S,5S)-2-methylene-5-(1-methylethenyl)cyclohexyl77026-84-7InChI=1/C10H16O2/c1-7(2)9-5-4-8(3)10(6-9)12-11/h9-11H,1,3-6H2,2H3/t9-,10-/m0/s
Show more names
p-menthadienhydroperoxide,(Z)-p-mentha-1,8-dien-2-hydroperoxideHydroperoxide, (1S,5S)-2-methylene-5-(1-methylethenyl)cyclohexyl (9CI)
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 258.1 · 258.1±40.0 °C(Predicted)
- Density
- 0.98 · 0.98±0.1 g/cm3(Predicted)
- pka
- 11.91 · 11.91±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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