(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
PubChem CID: 581958
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| Compound Synonyms | (1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene, (1,2,3-trimethylcycloprop-2-en-1-yl)benzene, CHEBI:87342, OHNHLTBFDBOYSK-UHFFFAOYSA-N, (1,2,3-trimethyl-2-cyclopropen-1-yl)-benzene, (1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene #, Benzene, (1,2,3-trimethyl-2-cyclopropen-1-yl)-, Q27159545 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 204.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (1,2,3-trimethylcycloprop-2-en-1-yl)benzene |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Is Pains | False |
| Molecular Formula | C12H14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OHNHLTBFDBOYSK-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Rotatable Bond Count | 1.0 |
| Compound Name | (1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 158.11 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 158.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 158.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9584128000000005 |
| Inchi | InChI=1S/C12H14/c1-9-10(2)12(9,3)11-7-5-4-6-8-11/h4-8H,1-3H3 |
| Smiles | CC1=C(C1(C)C2=CC=CC=C2)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients