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Cyclofenchene

PubChem CID: 79022

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Compound Synonyms Cyclofenchene, 1,3,3-Trimethyltricyclo[2.2.1.02,6]heptane, 488-97-1, EINECS 207-690-4, 1,3,3-Trimethyltricyclo(2.2.1.02,6)heptane, AI3-26470, Tricyclo[2.2.1.02,6]heptane, 1,3,3-trimethyl-, Tricyclo[2.2.1.0(2,6)]heptane, 1,3,3-trimethyl-, Tricyclo(2.2.1.02,6)heptane, 1,3,3-trimethyl-, Tricyclo(2.2.1.0(2,6))heptane, 1,3,3-trimethyl-, DTXSID70870555, NS00043389, 1,3,3-trimethyltricyclo[2,2,1,0 2,6]heptane, 1,3,3-trimethyltricyclo[2.2.1.02,6]-heptane, 207-690-4
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1C2CC3C1C3C2
Deep Smiles CCC)CCCC5C3C6)C
Heavy Atom Count 10.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level C1C2CC3C1C3C2
Classyfire Subclass Monoterpenoids
Isotope Atom Count 0.0
Molecular Complexity 204.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1,3,3-trimethyltricyclo[2.2.1.02,6]heptane
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 3.2
Gsk 4 400 Rule True
Molecular Formula C10H16
Scaffold Graph Node Bond Level C1C2CC3C1C3C2
Prediction Swissadme 0.0
Inchi Key NZXWDTCLMXDSHY-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 1.0
Logs -4.55
Rotatable Bond Count 0.0
Logd 3.759
Synonyms cyclofenchene
Esol Class Soluble
Compound Name Cyclofenchene
Prediction Hob Swissadme 0.0
Exact Mass 136.125
Formal Charge 0.0
Monoisotopic Mass 136.125
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 136.23
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -2.7258756
Inchi InChI=1S/C10H16/c1-9(2)6-4-7-8(9)10(7,3)5-6/h6-8H,4-5H2,1-3H3
Smiles CC1(C2CC3C1C3(C2)C)C
Nring 4.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Monoterpenoids