Cyclopropane, 1,1-dimethyl-2-(3-methyl-1,3-butadienyl)-
PubChem CID: 5316892
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| Compound Synonyms | 1,1-Dimethyl-2-(3-methyl-1,3-butadiene)cyclo-propane, Cyclopropane, 1,1-dimethyl-2-(3-methyl-1,3-butadienyl)-, CHEBI:228938, RESIMHRPGANVBX-AATRIKPKSA-N, 1,1-dimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclopropane, 1,1-Dimethyl-2-[(1E)-3-methyl-1,3-butadienyl]cyclopropane # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 172.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1-dimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclopropane |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Is Pains | False |
| Molecular Formula | C10H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RESIMHRPGANVBX-AATRIKPKSA-N |
| Fcsp3 | 0.6 |
| Rotatable Bond Count | 2.0 |
| Compound Name | Cyclopropane, 1,1-dimethyl-2-(3-methyl-1,3-butadienyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.125 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 136.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 136.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.0096755999999996 |
| Inchi | InChI=1S/C10H16/c1-8(2)5-6-9-7-10(9,3)4/h5-6,9H,1,7H2,2-4H3/b6-5+ |
| Smiles | CC(=C)/C=C/C1CC1(C)C |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients