Cyclooctatetraene
PubChem CID: 637866
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| Compound Synonyms | Cyclooctatetraene, 1,3,5,7-CYCLOOCTATETRAENE, 629-20-9, [8]Annulene, (8)Annulene, cycloocta-1,3,5,7-tetraene, AJ19R479CQ, NSC 5093, NSC-5093, EINECS 211-080-3, UN2358, CYCLOOCTATETRAENE [MI], CHEBI:47034, COT, [8]-annulene, (8)annulene, cycloocta-1,3,5,7-tetraene, [8]annulene, cycloocta-1,3,5,7-tetraene, MFCD00004161, DTXSID9060867, UNII-AJ19R479CQ, 1,3,5,7-Cyclooctatetraene, Cyclooctatetraene, NSC 5093, [8]Annulene, (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene, Cyclooctatetraene, 98%, 1,5,7-Cyclooctatetraene, Cyclooctatetraene [UN2358] [Flammable liquid], Cyclooctatetraene (French DOT), Ciclooctatetraeno (Spanishn DOT), DTXCID90210818, NSC5093, KDUIUFJBNGTBMD-DLMDZQPMSA-N, BBL027453, STK802308, AKOS015840921, AKOS025311186, FC52310, UN 2358, VS-08539, 1,3,5,7-Cyclooctatetraene - Stabilised with 0.1% Hydroquinone, 211-080-3 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 86.4 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclooctatetraene |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C8H8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KDUIUFJBNGTBMD-DLMDZQPMSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.638 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.215 |
| Compound Name | Cyclooctatetraene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 104.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 104.063 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 104.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 4.0 |
| Esol | -2.4261424 |
| Inchi | InChI=1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-8H/b2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,8-6?,8-7- |
| Smiles | C\1=C\C=C/C=C\C=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 4.0 |
- 1. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all