1,6-Octadiene, 3,3,7-trimethyl-
PubChem CID: 10986446
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| Compound Synonyms | 62008-16-6, 1,6-Octadiene, 3,3,7-trimethyl-, DTXSID70450755, DTXCID20401575 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 145.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,3,7-trimethylocta-1,6-diene |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C11H20 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BCDJCVRHBXSSQH-UHFFFAOYSA-N |
| Fcsp3 | 0.6363636363636364 |
| Logs | -5.23 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.595 |
| Compound Name | 1,6-Octadiene, 3,3,7-trimethyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.157 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 152.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4874421999999994 |
| Inchi | InChI=1S/C11H20/c1-6-11(4,5)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3 |
| Smiles | CC(=CCCC(C)(C)C=C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients