2,2-dimethyl-6-(2-methylpropyl)-4H-chromen-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-chromen-3-one;2-methyl-7-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one;6-(2-methylpropyl)-4H-chromen-3-one;7-(2-methylpropyl)-3,4-dihydro-2H-isoquinolin-1-one;6-(2-methylpropyl)-4H-1,3λ6-benzoxathiine 3,3-dioxide;bis(7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline);2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine

C134H177F4N5O19S3 — CID 159438651

About 2,2-dimethyl-6-(2-methylpropyl)-4H-chromen-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-chromen-3-one;2-methyl-7-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one;6-(2-methylpropyl)-4H-chromen-3-one;7-(2-methylpropyl)-3,4-dihydro-2H-isoquinolin-1-one;6-(2-methylpropyl)-4H-1,3λ6-benzoxathiine 3,3-dioxide;bis(7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline);2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine

2,2-dimethyl-6-(2-methylpropyl)-4H-chromen-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-chromen-3-one;2-methyl-7-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one;6-(2-methylpropyl)-4H-chromen-3-one;7-(2-methylpropyl)-3,4-dihydro-2H-isoquinolin-1-one;6-(2-methylpropyl)-4H-1,3λ6-benzoxathiine 3,3-dioxide;bis(7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline);2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine (PubChem CID 159438651) has the molecular formula C134H177F4N5O19S3 and a molecular weight of 2334.10 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-methylpropyl)-4H-chromen-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-chromen-3-one;2-methyl-7-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one;6-(2-methylpropyl)-4H-chromen-3-one;7-(2-methylpropyl)-3,4-dihydro-2H-isoquinolin-1-one;6-(2-methylpropyl)-4H-1,3λ6-benzoxathiine 3,3-dioxide;bis(7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline);2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine.

Molecular Properties

• Compound Name: 2,2-dimethyl-6-(2-methylpropyl)-4H-chromen-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-chromen-3-one;2-methyl-7-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one;6-(2-methylpropyl)-4H-chromen-3-one;7-(2-methylpropyl)-3,4-dihydro-2H-isoquinolin-1-one;6-(2-methylpropyl)-4H-1,3λ6-benzoxathiine 3,3-dioxide;bis(7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline);2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine
• PubChem CID: 159438651
• Molecular Formula: C134H177F4N5O19S3
• Molecular Weight: 2334.10 g/mol
• Exact Mass: 2332.21
• IUPAC Name: 2,2-dimethyl-6-(2-methylpropyl)-4H-chromen-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-chromen-3-one;2-methyl-7-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one;6-(2-methylpropyl)-4H-chromen-3-one;7-(2-methylpropyl)-3,4-dihydro-2H-isoquinolin-1-one;6-(2-methylpropyl)-4H-1,3λ6-benzoxathiine 3,3-dioxide;bis(7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline);2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine
• SMILES: CC(C)Cc1ccc2c(c1)C(=O)N(C)CC2.CC(C)Cc1ccc2c(c1)C(=O)NCC2.CC(C)Cc1ccc2c(c1)CC(=O)C(C)(C)O2.CC(C)Cc1ccc2c(c1)CC(=O)C(C)O2.CC(C)Cc1ccc2c(c1)CC(=O)CO2.CC(C)Cc1ccc2c(c1)CN(S(C)(=O)=O)CC2.CC(C)Cc1ccc2c(c1)CN(S(C)(=O)=O)CC2.CC(C)Cc1ccc2c(c1)CS(=O)(=O)CO2.CC(C)Cc1ccc2c(c1)N(C)C(=O)CO2.CC(C)Cc1ccc2c(c1)OC(F)(F)C(F)(F)O2
• InChI: InChI=1S/C15H20O2.2C14H21NO2S.C14H19NO.C14H18O2.C13H17NO2.C13H17NO.C13H16O2.C12H12F4O2.C12H16O3S/c1-10(2)7-11-5-6-13-12(8-11)9-14(16)15(3,4)17-13;2*1-11(2)8-12-4-5-13-6-7-15(18(3,16)17)10-14(13)9-12;1-10(2)8-11-4-5-12-6-7-15(3)14(16)13(12)9-11;1-9(2)6-11-4-5-14-12(7-11)8-13(15)10(3)16-14;1-9(2)6-10-4-5-12-11(7-10)14(3)13(15)8-16-12;1-9(2)7-10-3-4-11-5-6-14-13(15)12(11)8-10;1-9(2)5-10-3-4-13-11(6-10)7-12(14)8-15-13;1-7(2)5-8-3-4-9-10(6-8)18-12(15,16)11(13,14)17-9;1-9(2)5-10-3-4-12-11(6-10)7-16(13,14)8-15-12/h5-6,8,10H,7,9H2,1-4H3;2*4-5,9,11H,6-8,10H2,1-3H3;4-5,9-10H,6-8H2,1-3H3;4-5,7,9-10H,6,8H2,1-3H3;4-5,7,9H,6,8H2,1-3H3;3-4,8-9H,5-7H2,1-2H3,(H,14,15);3-4,6,9H,5,7-8H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-4,6,9H,5,7-8H2,1-2H3
• InChIKey: LRWXJOFKBMLFDZ-UHFFFAOYSA-N
• XLogP: 25.66
• TPSA: 294.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 22
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2334.10
LogP ≤ 5	25.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-methylpropyl)-4H-chromen-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-chromen-3-one;2-methyl-7-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one;6-(2-methylpropyl)-4H-chromen-3-one;7-(2-methylpropyl)-3,4-dihydro-2H-isoquinolin-1-one;6-(2-methylpropyl)-4H-1,3λ6-benzoxathiine 3,3-dioxide;bis(7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline);2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine?

The IUPAC name of 2,2-dimethyl-6-(2-methylpropyl)-4H-chromen-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-chromen-3-one;2-methyl-7-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one;6-(2-methylpropyl)-4H-chromen-3-one;7-(2-methylpropyl)-3,4-dihydro-2H-isoquinolin-1-one;6-(2-methylpropyl)-4H-1,3λ6-benzoxathiine 3,3-dioxide;bis(7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline);2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine (CID 159438651) is 2,2-dimethyl-6-(2-methylpropyl)-4H-chromen-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-chromen-3-one;2-methyl-7-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one;6-(2-methylpropyl)-4H-chromen-3-one;7-(2-methylpropyl)-3,4-dihydro-2H-isoquinolin-1-one;6-(2-methylpropyl)-4H-1,3λ6-benzoxathiine 3,3-dioxide;bis(7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline);2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine.

What is the SMILES notation for 2,2-dimethyl-6-(2-methylpropyl)-4H-chromen-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-chromen-3-one;2-methyl-7-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one;6-(2-methylpropyl)-4H-chromen-3-one;7-(2-methylpropyl)-3,4-dihydro-2H-isoquinolin-1-one;6-(2-methylpropyl)-4H-1,3λ6-benzoxathiine 3,3-dioxide;bis(7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline);2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine?

The canonical SMILES for 2,2-dimethyl-6-(2-methylpropyl)-4H-chromen-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-chromen-3-one;2-methyl-7-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one;6-(2-methylpropyl)-4H-chromen-3-one;7-(2-methylpropyl)-3,4-dihydro-2H-isoquinolin-1-one;6-(2-methylpropyl)-4H-1,3λ6-benzoxathiine 3,3-dioxide;bis(7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline);2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine is CC(C)Cc1ccc2c(c1)C(=O)N(C)CC2.CC(C)Cc1ccc2c(c1)C(=O)NCC2.CC(C)Cc1ccc2c(c1)CC(=O)C(C)(C)O2.CC(C)Cc1ccc2c(c1)CC(=O)C(C)O2.CC(C)Cc1ccc2c(c1)CC(=O)CO2.CC(C)Cc1ccc2c(c1)CN(S(C)(=O)=O)CC2.CC(C)Cc1ccc2c(c1)CN(S(C)(=O)=O)CC2.CC(C)Cc1ccc2c(c1)CS(=O)(=O)CO2.CC(C)Cc1ccc2c(c1)N(C)C(=O)CO2.CC(C)Cc1ccc2c(c1)OC(F)(F)C(F)(F)O2.

What is the InChIKey of 2,2-dimethyl-6-(2-methylpropyl)-4H-chromen-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-chromen-3-one;2-methyl-7-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one;6-(2-methylpropyl)-4H-chromen-3-one;7-(2-methylpropyl)-3,4-dihydro-2H-isoquinolin-1-one;6-(2-methylpropyl)-4H-1,3λ6-benzoxathiine 3,3-dioxide;bis(7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline);2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine?

The InChIKey is LRWXJOFKBMLFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2.2C14H21NO2S.C14H19NO.C14H18O2.C13H17NO2.C13H17NO.C13H16O2.C12H12F4O2.C12H16O3S/c1-10(2)7-11-5-6-13-12(8-11)9-14(16)15(3,4)17-13;2*1-11(2)8-12-4-5-13-6-7-15(18(3,16)17)10-14(13)9-12;1-10(2)8-11-4-5-12-6-7-15(3)14(16)13(12)9-11;1-9(2)6-11-4-5-14-12(7-11)8-13(15)10(3)16-14;1-9(2)6-10-4-5-12-11(7-10)14(3)13(15)8-16-12;1-9(2)7-10-3-4-11-5-6-14-13(15)12(11)8-10;1-9(2)5-10-3-4-13-11(6-10)7-12(14)8-15-13;1-7(2)5-8-3-4-9-10(6-8)18-12(15,16)11(13,14)17-9;1-9(2)5-10-3-4-12-11(6-10)7-16(13,14)8-15-12/h5-6,8,10H,7,9H2,1-4H3;2*4-5,9,11H,6-8,10H2,1-3H3;4-5,9-10H,6-8H2,1-3H3;4-5,7,9-10H,6,8H2,1-3H3;4-5,7,9H,6,8H2,1-3H3;3-4,8-9H,5-7H2,1-2H3,(H,14,15);3-4,6,9H,5,7-8H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-4,6,9H,5,7-8H2,1-2H3.

What are the key properties of 2,2-dimethyl-6-(2-methylpropyl)-4H-chromen-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-chromen-3-one;2-methyl-7-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one;6-(2-methylpropyl)-4H-chromen-3-one;7-(2-methylpropyl)-3,4-dihydro-2H-isoquinolin-1-one;6-(2-methylpropyl)-4H-1,3λ6-benzoxathiine 3,3-dioxide;bis(7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline);2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine?

2,2-dimethyl-6-(2-methylpropyl)-4H-chromen-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-chromen-3-one;2-methyl-7-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one;6-(2-methylpropyl)-4H-chromen-3-one;7-(2-methylpropyl)-3,4-dihydro-2H-isoquinolin-1-one;6-(2-methylpropyl)-4H-1,3λ6-benzoxathiine 3,3-dioxide;bis(7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline);2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine has a molecular weight of 2334.10 g/mol, XLogP of 25.66, 22 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-6-(2-methylpropyl)-4H-chromen-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-chromen-3-one;2-methyl-7-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one;6-(2-methylpropyl)-4H-chromen-3-one;7-(2-methylpropyl)-3,4-dihydro-2H-isoquinolin-1-one;6-(2-methylpropyl)-4H-1,3λ6-benzoxathiine 3,3-dioxide;bis(7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline);2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine is sourced from PubChem (CID 159438651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).