2-Heptene, (2Z)-
PubChem CID: 643836
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| Compound Synonyms | cis-2-Heptene, 6443-92-1, (Z)-Hept-2-ene, (Z)-2-Heptene, 2-Heptene, (Z)-, 2-heptene, (2Z)-, (2Z)-2-Heptene, (2Z)-hept-2-ene, EINECS 229-242-7, (Z)?-?2-?Heptene, 250X978P9Q, (Z)-2-C7H14, HEPT-2-ENE, CIS-, cis-hept-2-ene, MFCD00063976, (2Z)-Heptene, cis-2-Heptene, 97%, (2Z)-2-Heptene #, UNII-250X978P9Q, CHEBI:88413, DTXSID60896845, H0411, NS00082206, cis-2-Heptene, contains ca. 4% trans- form, Q27160269, 2-Heptene, (2Z)-, 2-Heptene, (Z)- (8CI), (2Z)-2-Heptene, (Z)-2-Heptene, cis-2-Heptene, 229-242-7 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 44.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-hept-2-ene |
| Prediction Hob | 1.0 |
| Class | Unsaturated hydrocarbons |
| Xlogp | 3.2 |
| Superclass | Hydrocarbons |
| Subclass | Unsaturated aliphatic hydrocarbons |
| Molecular Formula | C7H14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OTTZHAVKAVGASB-HYXAFXHYSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -2.647 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.469 |
| Compound Name | 2-Heptene, (2Z)- |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 98.1096 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 98.1096 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 98.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -2.2541718000000004 |
| Inchi | InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3- |
| Smiles | CCCC/C=C\C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Unsaturated aliphatic hydrocarbons |
- 1. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients