(Z)-4-Chloro-2,3-dimethyl-1,3-hexadiene
PubChem CID: 5372743
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| Compound Synonyms | (Z)-4-Chloro-2,3-dimethyl-1,3-hexadiene, RIDCARBEKJXPKS-FPLPWBNLSA-N, (3Z)-4-Chloro-2,3-dimethyl-1,3-hexadiene # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 143.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3Z)-4-chloro-2,3-dimethylhexa-1,3-diene |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C8H13Cl |
| Prediction Swissadme | 0.0 |
| Inchi Key | RIDCARBEKJXPKS-FPLPWBNLSA-N |
| Fcsp3 | 0.5 |
| Logs | -4.762 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.08 |
| Compound Name | (Z)-4-Chloro-2,3-dimethyl-1,3-hexadiene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 144.071 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 144.071 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 144.64 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.2381989999999994 |
| Inchi | InChI=1S/C8H13Cl/c1-5-8(9)7(4)6(2)3/h2,5H2,1,3-4H3/b8-7- |
| Smiles | CC/C(=C(\C)/C(=C)C)/Cl |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients