4-Penten-2-ol
PubChem CID: 12247
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| Compound Synonyms | 4-PENTEN-2-OL, 625-31-0, pent-4-en-2-ol, 1-Penten-4-ol, 4-Hydroxypent-1-ene, MFCD00004556, EINECS 210-887-8, NSC 65447, CH2=CHCH2CH(OH)CH3, AI3-28609, ZHZCYWWNFQUZOR-UHFFFAOYSA-, DTXSID10862318, 4Hydroxypent1ene, 1Penten4ol, penten-4-ol, NSC65447, 4-Penten-2-ol, 99%, DTXCID50811103, NSC-65447, AKOS009158216, SY048958, CS-0187048, NS00043373, P1804, 4-Penten-2-ol, purum, >=98.0% (GC), D92157, EN300-116240, 210-887-8 |
|---|---|
| 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 | CCCC=C)))O |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 41.2 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pent-4-en-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H10O |
| Inchi Key | ZHZCYWWNFQUZOR-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 4-penten-2-ol |
| Esol Class | Very soluble |
| Functional Groups | C=CC, CO |
| Compound Name | 4-Penten-2-ol |
| Exact Mass | 86.0732 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 86.0732 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 86.13 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H10O/c1-3-4-5(2)6/h3,5-6H,1,4H2,2H3 |
| Smiles | CC(CC=C)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Sphagneticola Trilobata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698255