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Isoborneol

PubChem CID: 6321405

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Compound Synonyms Isoborneol, 124-76-5, (-)-Isoborneol, Isocamphol, DL-Isoborneol, Isobornyl alcohol, Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1R,2R,4R)-rel-, Exoborneol, Isobomeol, 2-exo-Bornyl alcohol, L-Isoborneol, (-)-(2R)-Isoborneol, 2-Bornanol, exo-, 2-Camphanol, exo-, Isoborneol, (-)-, FEMA No. 2158, 10334-13-1, (-)-Bornan-2-exo-ol, UNII-L88RA8N5EG, Isoborneol, DL-, L88RA8N5EG, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol, DTXSID2042060, HSDB 2843, ISOBORNEOL,DL-, EINECS 204-712-4, NSC 26350, Isoborneol (1R,2R,4R)-form [MI], BRN 4126091, exo-2-Hydroxy-1,7,7-trimethylnorbornane, AI3-14113, ISOBORNEOL,(+/-)-, DTXCID0022060, exo-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol, 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol, exo-, NSC-26350, 20U67Z994U, Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, (1R,2R,4R)-, exo-1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol, Bingpia, exo-2-Camphanol, (1R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2alpha-ol, exo-2-Bornanol, rel-(1R,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol, Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, (1R,2R,4R)-rel-, MFCD00074821, Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, exo-, 507-70-0, b-Camphol, UNII-20U67Z994U, Isoborneol, 95%, Isoborneol (Standard), ISOBORNEOL [MI], Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, ISOBORNEOL [FCC], 1,7,7-Trimethylbicyclo, ISOBORNEOL [FHFI], ISOBORNEOL [HSDB], Isoborneol, >=95%, FG, SCHEMBL115722, Isoborneol, analytical standard, CHEMBL3560760, HY-N2004R, DTGKSKDOIYIVQL-MRTMQBJTSA-N, FEMA 2158?, HY-N2004, Tox21_301645, AKOS028109482, FI34626, NCGC00255879-01, 1ST40230, BS-43851, CAS-124-76-5, CS-0018324, EN300-179986, EN300-760916, A828291, Q15644616, (1R,3R,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanol, (1R,3R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol, rac-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol, (1R*,2R*,4R*)-1,7,7-Trimethyl-bicyclo[2.2.1]heptan-2-ol, 204-712-4
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 11.0
Description Flavouring agent
Isotope Atom Count 0.0
Molecular Complexity 185.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 3.0
Uniprot Id P19838
Iupac Name (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
Prediction Hob 1.0
Class Prenol lipids
Xlogp 2.7
Superclass Lipids and lipid-like molecules
Subclass Monoterpenoids
Molecular Formula C10H18O
Prediction Swissadme 0.0
Inchi Key DTGKSKDOIYIVQL-MRTMQBJTSA-N
Fcsp3 1.0
Logs -2.906
Rotatable Bond Count 0.0
State solid
Logd 3.041
Synonyms (-)-Isoborneol, b-Camphol, FEMA 2158?, Isocamphol, (+)-Isoborneol, FEMA 2158, (+/-)-isoborneol, (±)-Isoborneol, Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, exo-, Borneol, exo-, DL-isoborneol, exo-1,7,7-Trimethylbicyclo(2.2.1)-2-heptanol, exo-1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol, exo-2-Bornanol, exo-2-Camphanol, exo-2-Hydroxy-1,7,7-trimethylnorbornane, Exoborneol, ISOBORNEOL, Isoborneol, DL-, Isobornyl alcohol, Borneol, Isoborneol, (exo)-isomer, Isoborneol, (1R-exo)-isomer, Isoborneol, (endo)-isomer, Isoborneol, (endo-(+-))-isomer, Isoborneol, (1R-endo)-isomer, Isoborneol, (-)-(2R)-Isoborneol, (-)-Bornan-2-exo-ol, (1R,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol, (R,R,R)-(-)-Isoborneol, 2-exo-Bornyl alcohol, l-Isoborneol, dl-Isoborneol, NSC 26350
Compound Name Isoborneol
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 154.136
Formal Charge 0.0
Monoisotopic Mass 154.136
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 154.25
Covalent Unit Count 1.0
Total Atom Stereocenter Count 3.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic homopolycyclic compounds
Esol -2.5099686
Inchi InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m1/s1
Smiles C[C@@]12CC[C@@H](C1(C)C)C[C@H]2O
Nring 2.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Bicyclic monoterpenoids