Methylenecyclohexane
PubChem CID: 14502
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| Compound Synonyms | Methylenecyclohexane, 1192-37-6, Cyclohexane, methylene-, methylidenecyclohexane, 1-Methylenecyclohexane, methylene-cyclohexane, EINECS 214-752-4, NSC 73918, ET4NT9H9LB, DTXSID4061595, NSC-73918, MFCD00001661, NSC73918, UNII-ET4NT9H9LB, Methylenecyclohexane, 98%, METHYLENE CYCLOHEXANE, DTXCID2033493, AKOS009156536, M0921, NS00023847, EN300-61000, G29506, Q1999285, 214-752-4 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 64.099 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methylidenecyclohexane |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C7H12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YULMNMJFAZWLLN-UHFFFAOYSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -4.347 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.464 |
| Compound Name | Methylenecyclohexane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 96.0939 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 96.0939 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 96.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0805726 |
| Inchi | InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h1-6H2 |
| Smiles | C=C1CCCCC1 |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients