3-Cyclohexene-1-carboxaldehyde, 1-methyl-, oxime, (Z)-(+/-)-
PubChem CID: 9602571
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| Compound Synonyms | BTMSRRQJPICNTR-VQHVLOKHSA-N, 1-Methyl-3-cyclohexene-1-carbaldehyde oxime #, 3-Cyclohexene-1-carboxaldehyde, 1-methyl-, oxime, (Z)-(.+/-.)- |
|---|---|
| Topological Polar Surface Area | 32.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 163.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (NE)-N-[(1-methylcyclohex-3-en-1-yl)methylidene]hydroxylamine |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C8H13NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | BTMSRRQJPICNTR-VQHVLOKHSA-N |
| Fcsp3 | 0.625 |
| Logs | -2.109 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.112 |
| Compound Name | 3-Cyclohexene-1-carboxaldehyde, 1-methyl-, oxime, (Z)-(+/-)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 139.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 139.1 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 139.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.7836276 |
| Inchi | InChI=1S/C8H13NO/c1-8(7-9-10)5-3-2-4-6-8/h2-3,7,10H,4-6H2,1H3/b9-7+ |
| Smiles | CC1(CCC=CC1)/C=N/O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Saluenensis (Plant) Rel Props:Source_db:cmaup_ingredients