Galaxolide
PubChem CID: 91497
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| Compound Synonyms | Galaxolide, 1222-05-5, Abbalide, Galoxolide, Pearlide, 4,6,6,7,8,8-Hexamethyl-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene, Galaxolide White, HHCB, Cyclopenta[g]-2-benzopyran, 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethyl-, hexamethylindanopyran, Hexahydrohexamethyl cyclopentabenzopyran, 1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethyl-cyclopenta-gamma-2-benzopyran, 1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-benzopyran, EINECS 214-946-9, CCRIS 8402, CHEBI:83784, 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene, HSDB 7514, GALAXOLIDE [HSDB], 14170060AT, Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta-gamma-2-benzopyran, EC 214-946-9, 1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylindeno(5,6-c)pyran, 1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta(g)-2-benzopyran, Cyclopenta(g)-2-benzopyran, 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethyl-, 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethylindeno[5,6-c]pyran, HHCB cpd, 4,6,6,7,8,8-hexamethyl-1,3,4,6,7,8-hexahydrocyclopenta(g)isochromene, Galaxolide 1, UNII-14170060AT, Galaxolide 1+2, 4-(2-Aminoethyl)-5-nitropyrocatechol, 4-(2-Aminoethyl)-5-nitro-1,2-benzenediol, 4-(2-Aminoethyl)-5-nitrobenzene-1,2-diol, hexahydro-hexamethylcyclopenta-benzopyran, HHCB [MI], SCHEMBL115118, CHEMBL1883305, DTXSID8027373, HEXAMETHYLINDANOPYRAN [INCI], MFCD00072199, Galaxolide - Mixture of Diastereomers, AKOS016010343, FG23642, FG45940, s12385, NCGC00164416-01, NCGC00164416-02, 1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-benzopyran (ca. 50% in Diethyl Phthalate), CS-0152668, G0415, NS00008760, Galaxolide solution, 50% in diethyl phthalate, A891175, CC1(C)C2=CC3=C(COCC3C)C=C2C(C)(C)C1C, Q2268349, Hexahydro4,6,6,7,8,8hexamethylcyclopentagamma2benzopyran, 6-Oxa-1,1,2,3,3,8-hexamethyl-2,3,5,6,7,8-hexahydro-1H-benz, 1,3,4,6,7,8Hexahydro4,6,6,7,8,8hexamethylcyclopenta(g)2benzopyran, 1,3,4,6,7,8Hexahydro4,6,6,7,8,8hexamethylcyclopentagamma2benzopyran, 4,6,6,7,8,8-Hexamethyl-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene #, 4,6,6,7,8,8-hexamethyl-1H,3H,4H,6H,7H,8H-indeno[5,6-c]pyran, Cyclopenta(g)2benzopyran, 1,3,4,6,7,8hexahydro4,6,6,7,8,8hexamethyl, 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethyl-cyclopenta[G]-2-benzopyran, galaxolide, 4,6,6,7,8,8-hexamethyl-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene, 1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-benzopyran, 1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-b enzopyrane, Abbalide, 214-946-9, 4,6,6,7,8,8-Hexamethyl-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene, ca. 48-52% in diethyl phthalate |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 357.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P03372 |
| Iupac Name | 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C18H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ONKNPOPIGWHAQC-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -6.006 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.271 |
| Compound Name | Galaxolide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 258.399 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.392795210526315 |
| Inchi | InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3 |
| Smiles | CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all