2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole
C225H334N10O13S4 — CID 161211854
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)Cc1ccc2c(c1)CC(C)(C)O2.CC(C)Cc1ccc2c(c1)CCO2.CC(C)Cc1ccc2c(c1)OCC(C)(C)O2.CC(C)Cc1ccc2c(c1)OCCO2.CC(C)Cc1ccc2c(c1)OCO2.CC(C)Cc1ccc2c(cnn2C)c1.CC(C)Cc1ccc2cn[nH]c2c1.CC(C)Cc1ccc2cnn(C)c2c1.CC(C)Cc1ccc2cnoc2c1.CC(C)Cc1ccc2cnsc2c1.CC(C)Cc1ccc2oncc2c1.CC(C)Cc1ccc2sncc2c1.Cc1cc2cc(CC(C)C)ccc2o1.Cc1cc2cc(CC(C)C)ccc2s1.Cc1cc2ccc(CC(C)C)cc2o1.Cc1cc2ccc(CC(C)C)cc2s1.Cc1oc2ccc(CC(C)C)cc2c1C
InChIInChI=1S/C14H20O2.C14H20O.C14H18O.2C13H16O.2C13H16S.2C12H16N2.C12H16O2.C12H16O.C11H14N2.2C11H13NO.2C11H13NS.C11H14O2.17CH4/c1-10(2)7-11-5-6-12-13(8-11)15-9-14(3,4)16-12;1-10(2)7-11-5-6-13-12(8-11)9-14(3,4)15-13;1-9(2)7-12-5-6-14-13(8-12)10(3)11(4)15-14;1-9(2)6-11-4-5-13-12(8-11)7-10(3)14-13;1-9(2)6-11-4-5-12-7-10(3)14-13(12)8-11;1-9(2)6-11-4-5-13-12(8-11)7-10(3)14-13;1-9(2)6-11-4-5-12-7-10(3)14-13(12)8-11;1-9(2)6-10-4-5-12-11(7-10)8-13-14(12)3;1-9(2)6-10-4-5-11-8-13-14(3)12(11)7-10;1-9(2)7-10-3-4-11-12(8-10)14-6-5-13-11;1-9(2)7-10-3-4-12-11(8-10)5-6-13-12;1-8(2)5-9-3-4-10-7-12-13-11(10)6-9;1-8(2)5-9-3-4-11-10(6-9)7-12-13-11;1-8(2)5-9-3-4-10-7-12-13-11(10)6-9;1-8(2)5-9-3-4-11-10(6-9)7-12-13-11;1-8(2)5-9-3-4-10-7-12-13-11(10)6-9;1-8(2)5-9-3-4-10-11(6-9)13-7-12-10;;;;;;;;;;;;;;;;;/h5-6,8,10H,7,9H2,1-4H3;5-6,8,10H,7,9H2,1-4H3;5-6,8-9H,7H2,1-4H3;6*4-5,7-9H,6H2,1-3H3;3-4,8-9H,5-7H2,1-2H3;3-4,8-9H,5-7H2,1-2H3;3-4,6-8H,5H2,1-2H3,(H,12,13);4*3-4,6-8H,5H2,1-2H3;3-4,6,8H,5,7H2,1-2H3;17*1H4
InChIKeyUWILXUATBQRQMI-UHFFFAOYSA-N
MW3515.47 g/mol
LogP68.23
Rot. Bonds34
About 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole
2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole (PubChem CID 161211854) has the molecular formula C225H334N10O13S4 and a molecular weight of 3515.47 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole.
Molecular Properties
| Compound Name | 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole |
|---|---|
| PubChem CID | 161211854 |
| Molecular Formula | C225H334N10O13S4 |
| Molecular Weight | 3515.47 g/mol |
| Exact Mass | 3512.47 |
| IUPAC Name | 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole |
| SMILES | C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)Cc1ccc2c(c1)CC(C)(C)O2.CC(C)Cc1ccc2c(c1)CCO2.CC(C)Cc1ccc2c(c1)OCC(C)(C)O2.CC(C)Cc1ccc2c(c1)OCCO2.CC(C)Cc1ccc2c(c1)OCO2.CC(C)Cc1ccc2c(cnn2C)c1.CC(C)Cc1ccc2cn[nH]c2c1.CC(C)Cc1ccc2cnn(C)c2c1.CC(C)Cc1ccc2cnoc2c1.CC(C)Cc1ccc2cnsc2c1.CC(C)Cc1ccc2oncc2c1.CC(C)Cc1ccc2sncc2c1.Cc1cc2cc(CC(C)C)ccc2o1.Cc1cc2cc(CC(C)C)ccc2s1.Cc1cc2ccc(CC(C)C)cc2o1.Cc1cc2ccc(CC(C)C)cc2s1.Cc1oc2ccc(CC(C)C)cc2c1C |
| InChI | InChI=1S/C14H20O2.C14H20O.C14H18O.2C13H16O.2C13H16S.2C12H16N2.C12H16O2.C12H16O.C11H14N2.2C11H13NO.2C11H13NS.C11H14O2.17CH4/c1-10(2)7-11-5-6-12-13(8-11)15-9-14(3,4)16-12;1-10(2)7-11-5-6-13-12(8-11)9-14(3,4)15-13;1-9(2)7-12-5-6-14-13(8-12)10(3)11(4)15-14;1-9(2)6-11-4-5-13-12(8-11)7-10(3)14-13;1-9(2)6-11-4-5-12-7-10(3)14-13(12)8-11;1-9(2)6-11-4-5-13-12(8-11)7-10(3)14-13;1-9(2)6-11-4-5-12-7-10(3)14-13(12)8-11;1-9(2)6-10-4-5-12-11(7-10)8-13-14(12)3;1-9(2)6-10-4-5-11-8-13-14(3)12(11)7-10;1-9(2)7-10-3-4-11-12(8-10)14-6-5-13-11;1-9(2)7-10-3-4-12-11(8-10)5-6-13-12;1-8(2)5-9-3-4-10-7-12-13-11(10)6-9;1-8(2)5-9-3-4-11-10(6-9)7-12-13-11;1-8(2)5-9-3-4-10-7-12-13-11(10)6-9;1-8(2)5-9-3-4-11-10(6-9)7-12-13-11;1-8(2)5-9-3-4-10-7-12-13-11(10)6-9;1-8(2)5-9-3-4-10-11(6-9)13-7-12-10;;;;;;;;;;;;;;;;;/h5-6,8,10H,7,9H2,1-4H3;5-6,8,10H,7,9H2,1-4H3;5-6,8-9H,7H2,1-4H3;6*4-5,7-9H,6H2,1-3H3;3-4,8-9H,5-7H2,1-2H3;3-4,8-9H,5-7H2,1-2H3;3-4,6-8H,5H2,1-2H3,(H,12,13);4*3-4,6-8H,5H2,1-2H3;3-4,6,8H,5,7H2,1-2H3;17*1H4 |
| InChIKey | UWILXUATBQRQMI-UHFFFAOYSA-N |
| XLogP | 68.23 |
| TPSA | 255.42 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 252 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3515.47 |
| LogP ≤ 5 | 68.23 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 26 |
Frequently Asked Questions
What is the IUPAC name of 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole?
The IUPAC name of 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole (CID 161211854) is 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole.
What is the SMILES notation for 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole?
The canonical SMILES for 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)Cc1ccc2c(c1)CC(C)(C)O2.CC(C)Cc1ccc2c(c1)CCO2.CC(C)Cc1ccc2c(c1)OCC(C)(C)O2.CC(C)Cc1ccc2c(c1)OCCO2.CC(C)Cc1ccc2c(c1)OCO2.CC(C)Cc1ccc2c(cnn2C)c1.CC(C)Cc1ccc2cn[nH]c2c1.CC(C)Cc1ccc2cnn(C)c2c1.CC(C)Cc1ccc2cnoc2c1.CC(C)Cc1ccc2cnsc2c1.CC(C)Cc1ccc2oncc2c1.CC(C)Cc1ccc2sncc2c1.Cc1cc2cc(CC(C)C)ccc2o1.Cc1cc2cc(CC(C)C)ccc2s1.Cc1cc2ccc(CC(C)C)cc2o1.Cc1cc2ccc(CC(C)C)cc2s1.Cc1oc2ccc(CC(C)C)cc2c1C.
What is the InChIKey of 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole?
The InChIKey is UWILXUATBQRQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2.C14H20O.C14H18O.2C13H16O.2C13H16S.2C12H16N2.C12H16O2.C12H16O.C11H14N2.2C11H13NO.2C11H13NS.C11H14O2.17CH4/c1-10(2)7-11-5-6-12-13(8-11)15-9-14(3,4)16-12;1-10(2)7-11-5-6-13-12(8-11)9-14(3,4)15-13;1-9(2)7-12-5-6-14-13(8-12)10(3)11(4)15-14;1-9(2)6-11-4-5-13-12(8-11)7-10(3)14-13;1-9(2)6-11-4-5-12-7-10(3)14-13(12)8-11;1-9(2)6-11-4-5-13-12(8-11)7-10(3)14-13;1-9(2)6-11-4-5-12-7-10(3)14-13(12)8-11;1-9(2)6-10-4-5-12-11(7-10)8-13-14(12)3;1-9(2)6-10-4-5-11-8-13-14(3)12(11)7-10;1-9(2)7-10-3-4-11-12(8-10)14-6-5-13-11;1-9(2)7-10-3-4-12-11(8-10)5-6-13-12;1-8(2)5-9-3-4-10-7-12-13-11(10)6-9;1-8(2)5-9-3-4-11-10(6-9)7-12-13-11;1-8(2)5-9-3-4-10-7-12-13-11(10)6-9;1-8(2)5-9-3-4-11-10(6-9)7-12-13-11;1-8(2)5-9-3-4-10-7-12-13-11(10)6-9;1-8(2)5-9-3-4-10-11(6-9)13-7-12-10;;;;;;;;;;;;;;;;;/h5-6,8,10H,7,9H2,1-4H3;5-6,8,10H,7,9H2,1-4H3;5-6,8-9H,7H2,1-4H3;6*4-5,7-9H,6H2,1-3H3;3-4,8-9H,5-7H2,1-2H3;3-4,8-9H,5-7H2,1-2H3;3-4,6-8H,5H2,1-2H3,(H,12,13);4*3-4,6-8H,5H2,1-2H3;3-4,6,8H,5,7H2,1-2H3;17*1H4.
What are the key properties of 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole?
2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole has a molecular weight of 3515.47 g/mol, XLogP of 68.23, 34 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole is sourced from PubChem (CID 161211854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 161211854 — identifiers, structure, computed properties (public domain)
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