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4-Isopropyl-2-cyclohexenone

PubChem CID: 92780

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Compound Synonyms 4-Isopropyl-2-cyclohexenone, Crypton, 500-02-7, Cryptone, 2-Cyclohexen-1-one, 4-(1-methylethyl)-, 4-(1-Methylethyl)-2-cyclohexen-1-one, 4-Isopropylcyclohex-2-en-1-one, 4-propan-2-ylcyclohex-2-en-1-one, CRYPTONE,L-, 2-Cyclohexen-1-one, 4-isopropyl-, (+/-)-CRYPTONE, 4-iso-Propyl-2-cyclohexenone, 4-(propan-2-yl)cyclohex-2-en-1-one, 4-Isopropyl-2-cyclohexen-1-one, 0U8E4W4GBB, 4-Isopropylcyclohex-2-enone, (R)-Cryptone, NSC 22060, DL-KRYPTONE, EINECS 207-898-5, NSC-22060, FEMA NO. 3939, DTXSID10862055, (R)-4-Isopropylcyclohex-2-enone, 4-ISOPROPYL-2-CYCLOHEXENONE [FHFI], UNII-0U8E4W4GBB, Kryptone, Cryptone, L-, 4-(1-Methylethyl)-2-cyclohexen-1-one, 4-Isopropyl-2-cyclohexen-1-one, 4-Isopropyl-2-cyclohexenone, Crypton, DL-Kryptone, NSC 22060, SCHEMBL440040, DTXCID90218410, CHEBI:229380, NSC22060, AT12689, SB46107, DB-323851, NS00043035, EN300-203205, Q21099100
Topological Polar Surface Area 17.1
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 10.0
Description Present in many plants including Angelica root, black pepper, lavender and cardamom. (R)-Cryptone is found in herbs and spices.
Isotope Atom Count 0.0
Molecular Complexity 156.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 4-propan-2-ylcyclohex-2-en-1-one
Prediction Hob 1.0
Class Organooxygen compounds
Xlogp 2.0
Superclass Organic oxygen compounds
Subclass Carbonyl compounds
Molecular Formula C9H14O
Prediction Swissadme 0.0
Inchi Key AANMVENRNJYEMK-UHFFFAOYSA-N
Fcsp3 0.6666666666666666
Logs -1.571
Rotatable Bond Count 1.0
Logd 1.658
Synonyms (R)-(-)-Cryptone, 2-(4-amino-3-chlorophenyl)benzothiazole, 4-(1,3-benzothiazol-2-yl)-2-chloroaniline, 4-Isopropyl-2-cyclohexen-1-one, Benzenamine, 2-chloro-4-(benzothiazol-2-yl)-, 2-Cyclohexen-1-one, 4-(1-methylethyl)-, 2-Cyclohexen-1-one, 4-isopropyl-, 4-(1-Methylethyl)-2-cyclohexen-1-one, 4-iso-Propyl-2-cyclohexenone, 4-Isopropyl-2-cyclohexenone, 4-Isopropylcyclohex-2-en-1-one, Crypton, Cryptone,l-
Compound Name 4-Isopropyl-2-cyclohexenone
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 138.104
Formal Charge 0.0
Monoisotopic Mass 138.104
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 138.21
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic homomonocyclic compounds
Esol -1.9035019999999998
Inchi InChI=1S/C9H14O/c1-7(2)8-3-5-9(10)6-4-8/h3,5,7-8H,4,6H2,1-2H3
Smiles CC(C)C1CCC(=O)C=C1
Nring 1.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Cyclohexenones