1-Nonen-3-ol
PubChem CID: 89560
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| Compound Synonyms | 1-Nonen-3-ol, 21964-44-3, Non-1-en-3-ol, Hexylvinylcarbinol, 1-Vinylheptanol, 3-Hydroxy-1-nonene, Hexyl vinyl carbinol, delta1-nonen-3-ol, nonene-1-ol-3, 1-Nonene-3-ol, 0GKA6U7Q9G, NSC 102782, NSC-102782, DWUPJMHAPOQKGJ-UHFFFAOYSA-, DTXSID30865023, EINECS 244-686-1, (+/-)-1-NONEN-3-OL, 1-NONEN-3-OL, (+/-)-, MFCD00021953, NSC102782, 1-Nonen-3 ol, UNII-0GKA6U7Q9G, SCHEMBL148996, DTXCID80813478, CHEBI:179597, LMFA05000504, AKOS009156593, CS-0449661, N0451, NS00013041, D91710, Q27236759, 244-686-1 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCCCCCC=C))O |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Fatty acyls |
| Description | Isolated from Petasites japonicus (sweet coltsfoot). 1-Nonen-3-ol is found in green vegetables. |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 78.8 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | non-1-en-3-ol |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.1 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | DWUPJMHAPOQKGJ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.7777777777777778 |
| Logs | -2.141 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.71 |
| Synonyms | 1-Nonene-3-ol, 1-Vinylheptanol, Hexyl vinyl carbinol, Hexylvinylcarbinol, Non-1-en-3-ol, Nonene-1-ol-3, Δ1-nonen-3-ol, 1-nonen-3-oi, 1-nonen-3-ol, non-1-en-3-01, non-1-en-3-ol |
| Esol Class | Soluble |
| Functional Groups | C=CC, CO |
| Compound Name | 1-Nonen-3-ol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 142.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 142.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -2.2789004000000004 |
| Inchi | InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h4,9-10H,2-3,5-8H2,1H3 |
| Smiles | CCCCCCC(C=C)O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Millefolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9711995 - 2. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643676 - 7. Outgoing r'ship
FOUND_INto/from Elettaria Cardamomum (Plant) Rel Props:Reference:ISBN:9770972795006 - 8. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643827 - 9. Outgoing r'ship
FOUND_INto/from Hyptis Suaveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643644 - 10. Outgoing r'ship
FOUND_INto/from Origanum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2007.10643545 - 11. Outgoing r'ship
FOUND_INto/from Petasites Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Premna Serratifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700905 - 13. Outgoing r'ship
FOUND_INto/from Satureja Hortensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2004.10643381 - 14. Outgoing r'ship
FOUND_INto/from Teucrium Polium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.935065 - 15. Outgoing r'ship
FOUND_INto/from Thymus Praecox (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700624