2-Heptene
PubChem CID: 11611
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| Compound Synonyms | 2-HEPTENE, Hept-2-ene, 592-77-8, heptene-2, 2-C7H14, DTXSID0074718, 2-HEPTENE (TRANS), UNII-ECH654N3CO, ECH654N3CO, EINECS 209-768-3, n2Heptene, Hept2ene, Heptene2, Heptene2 (cis, trans), DTXCID1042574, 2Heptene (cis and trans mixture), 2-HEPTENE (CIS-AND TRANS-MIXTURE), DB-042863, H0043, NS00034124, D90785, D90859 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCC=CC |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Unsaturated aliphatic hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 44.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hept-2-ene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H14 |
| Inchi Key | OTTZHAVKAVGASB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 2-heptene |
| Esol Class | Soluble |
| Functional Groups | CC=CC |
| Compound Name | 2-Heptene |
| Exact Mass | 98.1096 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 98.1096 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 98.19 |
| Gi Absorption | False |
| 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/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3 |
| Smiles | CCCCC=CC |
| 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 Elettaria Cardamomum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643722 - 2. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all