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(2R)-3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrofuran

PubChem CID: 101600448

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Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 9.2
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCC1
Np Classifier Class Acyclic monoterpenoids
Deep Smiles CC=CC[C@H]OCC=C5C))))))))C
Heavy Atom Count 11.0
Classyfire Class Dihydrofurans
Scaffold Graph Node Level C1CCOC1
Isotope Atom Count 0.0
Molecular Complexity 185.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name (2R)-3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrofuran
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Organoheterocyclic compounds
Xlogp 2.2
Gsk 4 400 Rule True
Molecular Formula C10H16O
Scaffold Graph Node Bond Level C1=CCOC1
Prediction Swissadme 0.0
Inchi Key OBWLQYFNTCZMSR-SNVBAGLBSA-N
Silicos It Class Soluble
Fcsp3 0.6
Logs -3.349
Rotatable Bond Count 2.0
Logd 2.942
Synonyms beta-dihydrorosefuran
Esol Class Soluble
Functional Groups CC=C(C)C, COC
Compound Name (2R)-3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrofuran
Prediction Hob Swissadme 0.0
Exact Mass 152.12
Formal Charge 0.0
Monoisotopic Mass 152.12
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 152.23
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -2.0504694
Inchi InChI=1S/C10H16O/c1-8(2)4-5-10-9(3)6-7-11-10/h4,6,10H,5,7H2,1-3H3/t10-/m1/s1
Smiles CC1=CCO[C@@H]1CC=C(C)C
Nring 1.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Monoterpenoids

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