1,1,5,5-tetramethyl-4-methylidene-3,4a,6,7-tetrahydro-2H-naphthalene
PubChem CID: 5321892
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 315.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1,5,5-tetramethyl-4-methylidene-3,4a,6,7-tetrahydro-2H-naphthalene |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DOTPZZZHOADLRP-UHFFFAOYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -6.388 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.488 |
| Compound Name | 1,1,5,5-tetramethyl-4-methylidene-3,4a,6,7-tetrahydro-2H-naphthalene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.005013399999999 |
| Inchi | InChI=1S/C15H24/c1-11-8-10-14(2,3)12-7-6-9-15(4,5)13(11)12/h7,13H,1,6,8-10H2,2-5H3 |
| Smiles | CC1(CCC=C2C1C(=C)CCC2(C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Holarrhena Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Panax Pseudo (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Panax Pseudo-Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients