1-Heptene
PubChem CID: 11610
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| Compound Synonyms | 1-HEPTENE, Hept-1-ene, 592-76-7, HEPTENE, n-Hept-1-ene, 1-n-Heptene, Heptylene, n-Heptene, NSC 74130, HSDB 1078, EINECS 209-767-8, .alpha.-Heptylene, UN2278, UNII-O748KJ11V7, O748KJ11V7, EINECS 246-871-2, NSC-74130, 1-HEPTENE [HSDB], 1-C7H14, DTXSID2060466, 25339-56-4(n-Heptene)592-76-7(1-Heptene), 1-Heptene, analytical standard, MFCD00009531, Heptenes, nHeptene, alpha-heptylene, 1nHeptene, nHept1ene, Heptene, Isomers, MIXED HEPTENES, 1-Heptene, 97%, 1-Heptene, >=99%, 2(OR 3)-HEPTENE, MIXED HEPTENE ISOMERS, DTXCID6042573, DTXSID9027865, CHEBI:186747, NSC74130, STR07011, EINECS 271-209-4, LMFA11000319, AKOS009031489, DB-053357, DB-220759, n-Heptene [UN2278] [Flammable liquid], H0042, NS00079956, S0337, EN300-19737, D90784, doi:10.14272/ZGEGCLOFRBLKSE-UHFFFAOYSA-N.1, Q15687131, 25339-56-4(n-Heptene), 592-76-7(1-Heptene), 246-871-2, 81624-04-6 |
|---|---|
| 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 | CCCCCC=C |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Unsaturated aliphatic hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 37.3 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hept-1-ene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 4.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H14 |
| Inchi Key | ZGEGCLOFRBLKSE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 1-heptene |
| Esol Class | Soluble |
| Functional Groups | C=CC |
| Compound Name | 1-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 | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3 |
| Smiles | CCCCCC=C |
| 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 Cryptomeria Japonica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699267 - 2. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1477 - 3. Outgoing r'ship
FOUND_INto/from Stevia Rebaudiana (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3298