6,6-Dimethyl-2-methylidenecyclohex-3-ene-1-carbaldehyde
PubChem CID: 15715941
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| Compound Synonyms | 6,6-Dimethyl-2-methylidenecyclohex-3-ene-1-carbaldehyde, 33399-07-4, DTXSID50577277, DTXCID10528048, HIQSWLVZAOEUPK-UHFFFAOYSA-N, 2-methylene-6,6-dimethylcyclohex-3-ene-1-carboxaldehyde |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 211.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,6-dimethyl-2-methylidenecyclohex-3-ene-1-carbaldehyde |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Is Pains | False |
| Molecular Formula | C10H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HIQSWLVZAOEUPK-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Rotatable Bond Count | 1.0 |
| Compound Name | 6,6-Dimethyl-2-methylidenecyclohex-3-ene-1-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.104 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 150.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 150.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0535702000000002 |
| Inchi | InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7,9H,1,6H2,2-3H3 |
| Smiles | CC1(CC=CC(=C)C1C=O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients