methyl 4a-methyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalene-1-carboxylate
PubChem CID: 5319774
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| Prediction Swissadme | 1.0 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | NOROUGKWGGCQMD-UHFFFAOYSA-N |
| Fcsp3 | 0.6875 |
| Rotatable Bond Count | 3.0 |
| Heavy Atom Count | 18.0 |
| Compound Name | methyl 4a-methyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalene-1-carboxylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 248.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.178 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 405.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 248.36 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 4a-methyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalene-1-carboxylate |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 0.0 |
| Esol | -4.054669199999999 |
| Inchi | InChI=1S/C16H24O2/c1-11(2)12-7-9-16(3)8-5-6-13(14(16)10-12)15(17)18-4/h12H,1,5-10H2,2-4H3 |
| Smiles | CC(=C)C1CCC2(CCCC(=C2C1)C(=O)OC)C |
| Xlogp | 4.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C16H24O2 |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Agallochum (Plant) Rel Props:Source_db:cmaup_ingredients