1,2,3,4,5-Pentamethylcyclopentadiene
PubChem CID: 77667
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| Compound Synonyms | 4045-44-7, 1,2,3,4,5-Pentamethylcyclopentadiene, 1,2,3,4,5-pentamethylcyclopenta-1,3-diene, Pentamethylcyclopentadiene, 1,3-Cyclopentadiene, 1,2,3,4,5-pentamethyl-, Cyclopentadiene, 1,2,3,4,5-pentamethyl-, 1,2,3,4,5-Pentamethyl-1,3-cyclopentadiene, EINECS 223-743-4, DSE3MRZ77C, DTXSID00193466, NSC 222823, NSC-222823, 1,3-Cyclopentadiene, pentamethyl-, MFCD00001354, NSC222823, UNII-DSE3MRZ77C, WQIQNKQYEUMPBM-UHFFFAOYSA-, DTXCID10115957, DTXSID50579236, AKOS015950699, 1,2,3,4,5-pentamethyl-cyclopentadiene, BS-16710, DB-009421, NS00030795, P1292, 1,2,3,4,5-Pentamethylcyclopentadiene, 95%, 1,2,3,4,5-pentamethyl-cyclopenta-1,3-diene, EN300-180073, 1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl, Q1927394, 1,2,3,4,5-Pentamethylcyclopentadiene, technical, >=94.0% (GC), InChI=1/C10H16/c1-6-7(2)9(4)10(5)8(6)3/h6H,1-5H3, 223-743-4, 51330-60-0 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 192.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,3,4,5-pentamethylcyclopenta-1,3-diene |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C10H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WQIQNKQYEUMPBM-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.293 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.075 |
| Compound Name | 1,2,3,4,5-Pentamethylcyclopentadiene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 136.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8627756 |
| Inchi | InChI=1S/C10H16/c1-6-7(2)9(4)10(5)8(6)3/h6H,1-5H3 |
| Smiles | CC1C(=C(C(=C1C)C)C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients