4-Methylpent-3-en-1-ol
PubChem CID: 136582
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| Compound Synonyms | 4-Methyl-3-penten-1-ol, 4-methylpent-3-en-1-ol, 763-89-3, 4-methyl-3-pentenol, 3-Penten-1-ol, 4-methyl-, homoprenol, 2-methyl-2-penten-5-ol, CHEBI:138388, 4-methyl-3-pentene-1-ol, 4-methyl-pent-3-en-1-ol, SCHEMBL133427, DTXSID60227175, 4-Methyl-3-penten-1-ol, 97%, AKOS015916428, SB84470, FM164091, DB-056052, CS-0272019, EN300-260034, 624-631-1 |
|---|---|
| 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 | Acyclic monoterpenoids |
| Deep Smiles | OCCC=CC)C |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 60.6 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methylpent-3-en-1-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H12O |
| Prediction Swissadme | 0.0 |
| Inchi Key | FKKLUOCEIANSFL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.6666666666666666 |
| Logs | -1.03 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.009 |
| Synonyms | 4-methyl-3-pentenol, 4-methylpent-3-en-1-01 |
| Esol Class | Very soluble |
| Functional Groups | CC=C(C)C, CO |
| Compound Name | 4-Methylpent-3-en-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 100.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 100.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 100.16 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -1.2739981999999999 |
| Inchi | InChI=1S/C6H12O/c1-6(2)4-3-5-7/h4,7H,3,5H2,1-2H3 |
| Smiles | CC(=CCCO)C |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all