trans-Myrtanol
Basic information
- CAS
132203-71-5- Standard SMILES
CC1(C)[C@@H]2CC[C@@H](CO)[C@H]1C2- InChIKey
LDWAIHWGMRVEFR-DJLDLDEBSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Overview
trans-myrtanol has been reported in Persicaria hydropiperoides, Paeonia lactiflora, and other organisms with data available.
Names & identifiers
- Preferred name
- trans-Myrtanol
- IUPAC
- [(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
- English name
- (1alpha,2alpha,5alpha)-6,6-dimethylbicyclo[3.1.1]heptane-2-methanol
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
15358-91-5trans-myrtanolMyrtanol, trans-YHK8Y852SCDTXSID901317239(1alpha,2alpha,5alpha)-6,6-Dimethylbicyclo(3.1.1)heptane-2-methanol(1alpha,2alpha,5alpha)-6,6-dimethylbicyclo[3.1.1]heptane-2-methanolRefChem:1100274((1S,2R,5R)-6,6-dimethyl-2-bicyclo(3.1.1)heptanyl)methanolDTXCID201747063239-395-1(+)-trans-Myrtanol
Show more names
Einecs 239-395-1(1β,5β)-7,7-Dimethylbicyclo[3.1.1]heptane-2α-methanol(1R,1α,5α)-6,6-Dimethylbicyclo[3.1.1]heptane-2α-methanolBicyclo[3.1.1]heptane-2-methanol, 6,6-dimethyl-, (1R,2R,5R)-rel-
132203-71-5(R)-trans-MyrtanolMyrtanol, (R)-transDK224H8AJN[(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol((1R,2R,5R)-6,6-Dimethylbicyclo(3.1.1)heptan-2-yl)methanol[(1R,2R,5R)-6,6-DIMETHYLBICYCLO[3.1.1]HEPTAN-2-YL]METHANOLBicyclo(3.1.1)heptane-2-methanol, 6,6-dimethyl-, (1R,2R,5R)-
Database identifiers
- CAS
132203-71-5、15358-91-5- PubChem CID
- 84880
- DTXSID
DTXSID901317239- UNII
- DK224H8AJN、YHK8Y852SC
- EC Number
- 239-395-1
- Nikkaji
- J215.933C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 117 · 117-119 °C(Press: 15 Torr)
- Density
- 0.966 g/cm3 · 0.966 g/cm3(Temp: 25 °C)
- pka
- 14.99 · 14.99±0.10(Predicted)
- LogP
- 2.779 · 2.779 (est)
- FDA UNII
- 8 Y852SC · YHK8Y852SC
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…