(3S)-3,7-dimethylocta-1,7-dien-3-ol
CNP0283677.1 · C10H18O · View on COCONUT ↗
Identifiers
| Name | (3S)-3,7-dimethylocta-1,7-dien-3-ol |
|---|
| IUPAC Name | (3~{S})-3,7-dimethylocta-1,7-dien-3-ol |
|---|
| COCONUT ID | CNP0283677.1 |
|---|
| InChIKey | GYJHTGZQPKPEOT-SNVBAGLBSA-N |
|---|
| InChI | InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,11H,1-2,6-8H2,3-4H3/t10-/m1/s1 |
|---|
| SMILES | C=C[C@@](C)(O)CCCC(=C)C |
|---|
Properties
| Molecular Formula | C10H18O |
|---|
| Molecular Weight | 154.25 |
|---|
| Exact Mass | 154.13577 |
|---|
| Log P (ALogP) | 2.67 |
|---|
| TPSA | 20.23 |
|---|
| H-Bond Donors / Acceptors | 1 / 1 |
|---|
| Rotatable Bonds | 5 |
|---|
| Lipinski's Rule of 5 Violations | 0 |
|---|
| QED Drug-likeness | 0.60 |
|---|
| NP-likeness | 2.29 |
|---|
Classification
| NP Pathway | Terpenoids |
|---|
| NP Superclass | Monoterpenoids |
|---|
| NP Class | Acyclic monoterpenoids |
|---|
| Chemical Superclass | Organic oxygen compounds |
|---|
| Chemical Class | Organooxygen compounds |
|---|
| Chemical Subclass | Alcohols and polyols |
|---|
Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
