This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

(4S,4aR,6R,8aR)-Octahydro-4,4a-dimethyl-6-(1-methylethenyl)-1(2H)-naphthalenone

PubChem CID: 101306823

Connections displayed (default: 10).
Loading graph...

Compound Synonyms Eremofukinone, 35943-99-8, (4S,4aR,6R,8aR)-Octahydro-4,4a-dimethyl-6-(1-methylethenyl)-1(2H)-naphthalenone, (4S,4aR,6R,8aR)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one, CHEBI:195966, DTXSID001136626
Topological Polar Surface Area 17.1
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 16.0
Isotope Atom Count 0.0
Molecular Complexity 317.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 4.0
Iupac Name (4S,4aR,6R,8aR)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
Prediction Hob 0.0
Xlogp 4.3
Molecular Formula C15H24O
Prediction Swissadme 0.0
Inchi Key YHPOLTFUARNADB-SFDCQRBFSA-N
Fcsp3 0.8
Logs -4.103
Rotatable Bond Count 1.0
Logd 3.485
Compound Name (4S,4aR,6R,8aR)-Octahydro-4,4a-dimethyl-6-(1-methylethenyl)-1(2H)-naphthalenone
Prediction Hob Swissadme 0.0
Exact Mass 220.183
Formal Charge 0.0
Monoisotopic Mass 220.183
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 220.35
Covalent Unit Count 1.0
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 0.0
Esol -3.8177072
Inchi InChI=1S/C15H24O/c1-10(2)12-6-7-13-14(16)8-5-11(3)15(13,4)9-12/h11-13H,1,5-9H2,2-4H3/t11-,12+,13-,15+/m0/s1
Smiles C[C@H]1CCC(=O)[C@H]2[C@@]1(C[C@@H](CC2)C(=C)C)C
Nring 2.0
Defined Bond Stereocenter Count 0.0