Crotyl alcohol
PubChem CID: 637922
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| Compound Synonyms | Crotyl alcohol, Crotonyl alcohol, 504-61-0, 2-Buten-1-ol, (E)-But-2-en-1-ol, 2-Buten-1-ol, (2E)-, 6117-91-5, 2-Butenol, 3-Methylallyl alcohol, 2-Butenyl alcohol, (2E)-but-2-en-1-ol, Krotylalkohol, 2-BUTENE-1-OL, 2-Buten-1-ol, (E)-, trans-Crotonyl Alcohol, trans-2-Buten-1-Ol, Crotyl alcohol, (E)-, NSC 17480, trans-Crotyl Alcohol, Crotyl Alcohol (cis/trans Mixture), 1-Hydroxy-2-butene, L585TY5908, CH3CH=CHCH2OH, Propenylcarbinol, Krotylalkohol [Czech], Crotyl alcohol (VAN), Crotonyl alcohol (VAN), 2-(E)-Buten-1-ol, EINECS 228-086-7, MFCD00002923, UNII-D7F26UNN0B, DTXSID2052283, BRN 1719374, AI3-14902, E-crotyl alcohol, UNII-L585TY5908, trans-2-Butenol, 9A7, (e)-crotyl alcohol, EINECS 207-996-8, trans-2-Butenyl alcohol, Trans-but-2-en-1-ol, D7F26UNN0B, 2-01-00-00480 (Beilstein Handbook Reference), CHEMBL118459, DTXCID2030855, CHEBI:62891, 2-BUTEN-1-OL, TRANS-, DTXSID30883409, CHEBI:193942, Tox21_303907, BBL027414, STL372963, AKOS009157989, CROTYL ALCOHOL (E)-FORM [MI], FC31880, NCGC00357159-01, CAS-6117-91-5, B0696, NS00093525, Q420212, Q63395546, Z431953396 |
|---|---|
| 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 | C/C=C/CO |
| Heavy Atom Count | 5.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 30.6 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-but-2-en-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 0.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H8O |
| Inchi Key | WCASXYBKJHWFMY-NSCUHMNNSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-butenol |
| Esol Class | Very soluble |
| Functional Groups | C/C=C/C, CO |
| Compound Name | Crotyl alcohol |
| Exact Mass | 72.0575 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 72.0575 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 72.11 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+ |
| Smiles | C/C=C/CO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701073