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Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, (1R-endo)-

PubChem CID: 518472

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Compound Synonyms Bornyl formate, Isobornyl formate, 7492-41-3, Borneol, formate, (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) formate, 1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL FORMATE, 74219-20-8, 1,7,7-Trimethyl-formateendo-Bicyclo(2.2.1)heptan-2-ol, 1,7,7-Trimethyl-formateendo-Bicyclo[2.2.1]heptan-2-ol, Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, formate, (1R-endo)-, Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, (1R-endo)-, Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, (1R,2R,4R)-rel-, Endoisobornylformate, Endo-2-Bornanyl formate, SCHEMBL309630, FEMA 2161, DTXSID30862597, AKOS017341556, DB-254096, 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl formate, exo-, Endo-1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl formate
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 O=COCCCCC5C)CC5)))C)C
Heavy Atom Count 13.0
Classyfire Class Prenol lipids
Description Flavouring agent
Scaffold Graph Node Level C1CC2CCC1C2
Classyfire Subclass Monoterpenoids
Isotope Atom Count 0.0
Molecular Complexity 234.0
Database Name fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) formate
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 C11H18O2
Scaffold Graph Node Bond Level C1CC2CCC1C2
Inchi Key RDWUNORUTVEHJF-UHFFFAOYSA-N
Silicos It Class Soluble
Rotatable Bond Count 2.0
Synonyms 1,7,7-Trimethyl-formateendo-bicyclo(2.2.1)heptan-2-ol, 1,7,7-Trimethyl-formateendo-bicyclo[2.2.1]heptan-2-ol, 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl formate, exo-, 2-Bornyl formate, exo-, 2-Camphanyl formate, exo-, Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, formate, exo-, Endo-1,7,7-trimethylbicyclo(2.2.1)heptan-2-yl formate, Endo-2-bornanyl formate, exo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl formate, FEMA 2162, Isoborneol, formate, Isobornyl formate, Isobornyl methanoate, Bornyl formic acid, 2-Camphanyl formate, Borneol, formate, Bornyl methanoate, endo-1,7,7-trimethylbicyclo(2.2.1)Hept-2-yl formate, endo-1,7,7-trimethylbicyclo(2.2.1)Heptan-2-yl formate, endo-2-Bornanyl formate, Endoisobornylformate, FEMA 2161, 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl formic acid, Isobornyl formic acid, bornyl formate
Esol Class Soluble
Functional Groups COC=O
Compound Name Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, (1R-endo)-
Kingdom Organic compounds
Exact Mass 182.131
Formal Charge 0.0
Monoisotopic Mass 182.131
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 182.26
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
Inchi InChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3
Smiles CC1(C2CCC1(C(C2)OC=O)C)C
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Bicyclic monoterpenoids
Np Classifier Superclass Monoterpenoids

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