|
|
LM ID | LMPR0102010013 |
Common Name | (-)-Linalool (W) |
Systematic Name | 3R,7-dimethylocta-1,6-dien-3-ol |
Synonyms | (R)-3,7-dimethylocta-1,6-dien-3-ol |
Exact Mass | |
Formula | C10H18O |
Category | Prenol Lipids [PR] |
Main Class | Isoprenoids [PR01] |
Sub Class | C10 isoprenoids (monoterpenes) [PR0102] |
Class Level 4 | Acyclic monoterpenoids [PR010201] |
PubChem CID | 443158 |
KEGG ID | C11388 |
CHEBI ID | 98 |
InChIKey | CDOSHBSSFJOMGT-JTQLQIEISA-N
Show lipids differing only in stereochemistry/bond geometry |
InChI | InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m0/s1 |
SMILES | C[C@@](O)(CC/C=C(\C)/C)C=C |
MS Spectra | View MoNA MS spectra |
Status | Active |
Calculated physicochemical properties (?): |
|
| Heavy Atoms | 11 | Rings | 0 | Aromatic Rings | 0 | Rotatable Bonds | 4 |
---|
| van der Waals Molecular Volume | 185.07 | Topological Polar Surface Area | 20.23 | Hydrogen Bond Donors | 1 | Hydrogen Bond Acceptors | 1 |
---|
| logP | 2.96 | Molar Refractivity | 50.00 | | | | |
---|
|