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.

Bornyl acetate, (-)-

PubChem CID: 93009

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

Compound Synonyms (-)-Bornyl acetate, BORNYL ACETATE, 76-49-3, L-bornyl acetate, 5655-61-8, (-)-Borneol acetate, Bornyl acetate, (-)-, Levo-bornyl acetate, Bornyl acetate [USAN], UNII-24QAP1VCUX, 24QAP1VCUX, Borneol, acetate, (1S,2R,4S)-(-)-, (-)Bronyl acetate, FEMA No. 2159, Borneol, acetate, Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel-, (+/-)-Bornyl acetate, EINECS 227-101-4, BORNYL ACETATE, L-, L-Born-2-yl acetate, 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol acetate, BORNYL ACETATE L-FORM, BORNEOL, L-, ACETATE, 1S-ENDO-BORNYL ACETATE, DTXSID3052228, FEMA NO. 4080, borneol acetate, BORNEOL ACETATE, (-)-, EC 227-101-4, [(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate, endo-bornyl acetate, Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S,2R,4S)-, Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S-endo)-, Bornyl acetic ether, 2-Camphanol acetate, (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate, Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, endo-, endo-2-Camphanyl ethanoate, (-)-Bornyl acetate, 95%, 213431586X, endo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acetate, Bornylacetate, (1S)-1,7,7-TRIMETHYLBICYCLO(2.2.1)-2-HEPTANOL ACETATE, Bornyl ethanoate, Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel-, Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1S,2R,4S)-, Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2S,4R)-rel-, BICYCLO(2.2.1)HEPTAN-2-OL, 1,7,7-TRIMETHYL-, ACETATE, (1S-ENDO)-, Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S,2R,4S)-, Bornyl Acetate (Mixture of Diastereomers), 2-Camphanyl acetate, DTXSID7041675, Bronyl acetate, NSC-407158, (-)-Bornylacetat, (-)Bornyl acetate, EINECS 200-964-4, UNII-213431586X, NSC 407158, AI3-00665, (A+/-)-Bornyl acetate, L-.alpha.-bornyl acetate, 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate #, BORNYL ACETATE [MI], BORNYL ACETATE [FCC], 1S-endo-Bornyl acetate, l-Bornyl acetate, levo-Bornyl acetate, BORNYL ACETATE [FHFI], SCHEMBL132358, HY-N0756AR, BORNYL ACETATE [MART.], Bornyl acetate, >=98%, FG, (-)-[(1S)-bornyl]-acetate, (-)-Bornyl acetate (Standard), BORNYL ACETATE [WHO-DD], CHEMBL3186761, DTXCID5030799, L-BORNYL ACETATE [FHFI], HY-N0756A, 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl acetate, endo-, BORNYL ACETATE L-FORM [MI], Tox21_303841, s3893, AKOS017343145, CCG-266560, DB14665, FB74112, (-)-Bornyl acetate, analytical standard, NCGC00357112-01, 1ST40225, AS-76314, CAS-5655-61-8, CS-0017052, NS00078976, F16689, (-)-BORNYL ACETATE (CONSTITUENT OF MYRRH), Q27105264, (-)-BORNYL ACETATE (CONSTITUENT OF MYRRH) [DSC], [(1S,2R,4S)-1,7,7-Trimethylnorbornan-2-yl] acetate, BORNYL ACETATE (CONSTITUENT OF CHAMOMILE) [DSC], F0001-1483, (-)-Bornyl acetate, primary pharmaceutical reference standard, (1R,2S,4R)-REL-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-OL 2-ACETATE, 227-101-4
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 26.3
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CC2CCC1C2
Np Classifier Class Camphane monoterpenoids
Deep Smiles CC=O)O[C@@H]C[C@H]C[C@]5C)CC5)))C)C
Heavy Atom Count 14.0
Classyfire Class Prenol lipids
Description Bornyl acetate, also known as bornyl acetic acid, is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other. Bornyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Bornyl acetate is a camphor, cedar, and herbal tasting compound and can be found in a number of food items such as nutmeg, rosemary, spearmint, and sunflower, which makes bornyl acetate a potential biomarker for the consumption of these food products.
Scaffold Graph Node Level C1CC2CCC1C2
Classyfire Subclass Monoterpenoids
Isotope Atom Count 0.0
Molecular Complexity 269.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 3.0
Iupac Name [(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
Prediction Hob 1.0
Class Prenol lipids
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 3.3
Superclass Lipids and lipid-like molecules
Subclass Monoterpenoids
Gsk 4 400 Rule True
Molecular Formula C12H20O2
Scaffold Graph Node Bond Level C1CC2CCC1C2
Prediction Swissadme 1.0
Inchi Key KGEKLUUHTZCSIP-HOSYDEDBSA-N
Silicos It Class Soluble
Fcsp3 0.9166666666666666
Logs -2.902
Rotatable Bond Count 2.0
Logd 3.165
Synonyms (±)-Bornyl acetate, 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol acetate, (1R,2S,4R)-rel-, Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel-, Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, endo-, Borneol, acetate, Borneyl acetate, Bornyl acetate, Bornyl acetic ester, Bornyl ethanoate, dl-Bornyl acetate, endo-Bornyl acetate, (-)-Bornyl acetic acid, Bornyl acetic acid, (-)-Borneol acetate, (-)-Bornyl acetate, (1S)-1,7,7-Trimethylbicyclo[2.2.1]-2-heptanol acetate, (1S-endo)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acetate, 1S-endo-Bornyl acetate, l-Bornyl acetate, levo-Bornyl acetate, (-) bornyl acetate, (-)-bornyl acetate, (-)bornyl acetate, (−)-bornyl acetate, l-bornyl acetate
Esol Class Soluble
Functional Groups CC(=O)OC
Compound Name Bornyl acetate, (-)-
Kingdom Organic compounds
Prediction Hob Swissadme 1.0
Exact Mass 196.146
Formal Charge 0.0
Monoisotopic Mass 196.146
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 196.29
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 3.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic homopolycyclic compounds
Lipinski Rule Of 5 True
Esol -3.6339979999999996
Inchi InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m0/s1
Smiles CC(=O)O[C@@H]1C[C@@H]2CC[C@]1(C2(C)C)C
Nring 2.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Bicyclic monoterpenoids
Np Classifier Superclass Monoterpenoids