1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene
C301H429N25O13S5Si3 — CID 157468770
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene
SMILESCC(C)c1ccc(C(C)C)c(C[SiH](C)C)c1.CC(C)c1ccc(C(C)C)c2c1C=CC2.CC(C)c1ccc(C(C)C)c2c1CO[Si]2(C)C.CC(C)c1ccc(C(C)C)c2c1C[Si](C)(C)O2.CC(C)c1ccc(C(C)C)c2c1OCO2.CC(C)c1ccc(C(C)C)c2sccc12.CC(C)c1cnc(C(C)C)c2[nH]ccc12.CC(C)c1cnc(C(C)C)c2c1CC=C2.CC(C)c1cnc(C(C)C)c2c1CCO2.CC(C)c1cnc(C(C)C)c2c1OCC2.CC(C)c1cnc(C(C)C)c2occc12.CC(C)c1cnc(C(C)C)c2ocnc12.CC(C)c1cnc(C(C)C)c2scnc12.CC(C)c1ncc(C(C)C)c2occc12.CC(C)c1ncc(C(C)C)c2ocnc12.CC(C)c1ncc(C(C)C)c2scnc12.CC(C)c1nnc(C(C)C)c2c1CCO2.CC(C)c1nnc(C(C)C)c2c1CCO2.CC(C)c1nnc(C(C)C)c2ocnc12.CC(C)c1nnc(C(C)C)c2scnc12.Cc1cc(C(C)C)ccc1C(C)C.Cc1cc(C(C)C)ccc1C(C)C.Cc1csc2c(C(C)C)ccc(C(C)C)c12
InChIInChI=1S/2C15H24OSi.C15H20S.C15H26Si.C15H20.C14H19N.C14H18S.C13H18N2.C13H19NO.C13H17NO.C13H19NO.C13H17NO.C13H18O2.2C13H20.2C12H16N2O.2C12H18N2O.2C12H16N2S.C11H15N3O.C11H15N3S/c1-10(2)12-7-8-13(11(3)4)15-14(12)9-17(5,6)16-15;1-10(2)12-7-8-13(11(3)4)15-14(12)9-16-17(15,5)6;1-9(2)12-6-7-13(10(3)4)15-14(12)11(5)8-16-15;1-11(2)13-7-8-15(12(3)4)14(9-13)10-16(5)6;1-10(2)12-8-9-13(11(3)4)15-7-5-6-14(12)15;1-9(2)13-8-15-14(10(3)4)12-7-5-6-11(12)13;1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;1-8(2)11-7-15-12(9(3)4)13-10(11)5-6-14-13;2*1-8(2)11-7-14-12(9(3)4)10-5-6-15-13(10)11;2*1-8(2)11-7-14-12(9(3)4)13-10(11)5-6-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;2*1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-7(2)9-5-13-10(8(3)4)11-12(9)15-6-14-11;1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;2*1-7(2)10-9-5-6-15-12(9)11(8(3)4)14-13-10;1-7(2)9-5-13-10(8(3)4)11-12(9)15-6-14-11;1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;2*1-6(2)8-10-11(15-5-12-10)9(7(3)4)14-13-8/h2*7-8,10-11H,9H2,1-6H3;6-10H,1-5H3;7-9,11-12,16H,10H2,1-6H3;5-6,8-11H,7H2,1-4H3;5,7-10H,6H2,1-4H3;5-10H,1-4H3;5-9,14H,1-4H3;7-9H,5-6H2,1-4H3;5-9H,1-4H3;7-9H,5-6H2,1-4H3;5-9H,1-4H3;5-6,8-9H,7H2,1-4H3;2*6-10H,1-5H3;2*5-8H,1-4H3;2*7-8H,5-6H2,1-4H3;2*5-8H,1-4H3;2*5-7H,1-4H3
InChIKeyBUTXDMOJGYCTGM-UHFFFAOYSA-N
MW4850.50 g/mol
LogP88.96
Rot. Bonds48
About 1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene
1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene (PubChem CID 157468770) has the molecular formula C301H429N25O13S5Si3 and a molecular weight of 4850.50 g/mol. Its IUPAC name is 1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene.
Molecular Properties
| Compound Name | 1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene |
|---|---|
| PubChem CID | 157468770 |
| Molecular Formula | C301H429N25O13S5Si3 |
| Molecular Weight | 4850.50 g/mol |
| Exact Mass | 4846.16 |
| IUPAC Name | 1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene |
| SMILES | CC(C)c1ccc(C(C)C)c(C[SiH](C)C)c1.CC(C)c1ccc(C(C)C)c2c1C=CC2.CC(C)c1ccc(C(C)C)c2c1CO[Si]2(C)C.CC(C)c1ccc(C(C)C)c2c1C[Si](C)(C)O2.CC(C)c1ccc(C(C)C)c2c1OCO2.CC(C)c1ccc(C(C)C)c2sccc12.CC(C)c1cnc(C(C)C)c2[nH]ccc12.CC(C)c1cnc(C(C)C)c2c1CC=C2.CC(C)c1cnc(C(C)C)c2c1CCO2.CC(C)c1cnc(C(C)C)c2c1OCC2.CC(C)c1cnc(C(C)C)c2occc12.CC(C)c1cnc(C(C)C)c2ocnc12.CC(C)c1cnc(C(C)C)c2scnc12.CC(C)c1ncc(C(C)C)c2occc12.CC(C)c1ncc(C(C)C)c2ocnc12.CC(C)c1ncc(C(C)C)c2scnc12.CC(C)c1nnc(C(C)C)c2c1CCO2.CC(C)c1nnc(C(C)C)c2c1CCO2.CC(C)c1nnc(C(C)C)c2ocnc12.CC(C)c1nnc(C(C)C)c2scnc12.Cc1cc(C(C)C)ccc1C(C)C.Cc1cc(C(C)C)ccc1C(C)C.Cc1csc2c(C(C)C)ccc(C(C)C)c12 |
| InChI | InChI=1S/2C15H24OSi.C15H20S.C15H26Si.C15H20.C14H19N.C14H18S.C13H18N2.C13H19NO.C13H17NO.C13H19NO.C13H17NO.C13H18O2.2C13H20.2C12H16N2O.2C12H18N2O.2C12H16N2S.C11H15N3O.C11H15N3S/c1-10(2)12-7-8-13(11(3)4)15-14(12)9-17(5,6)16-15;1-10(2)12-7-8-13(11(3)4)15-14(12)9-16-17(15,5)6;1-9(2)12-6-7-13(10(3)4)15-14(12)11(5)8-16-15;1-11(2)13-7-8-15(12(3)4)14(9-13)10-16(5)6;1-10(2)12-8-9-13(11(3)4)15-7-5-6-14(12)15;1-9(2)13-8-15-14(10(3)4)12-7-5-6-11(12)13;1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;1-8(2)11-7-15-12(9(3)4)13-10(11)5-6-14-13;2*1-8(2)11-7-14-12(9(3)4)10-5-6-15-13(10)11;2*1-8(2)11-7-14-12(9(3)4)13-10(11)5-6-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;2*1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-7(2)9-5-13-10(8(3)4)11-12(9)15-6-14-11;1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;2*1-7(2)10-9-5-6-15-12(9)11(8(3)4)14-13-10;1-7(2)9-5-13-10(8(3)4)11-12(9)15-6-14-11;1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;2*1-6(2)8-10-11(15-5-12-10)9(7(3)4)14-13-8/h2*7-8,10-11H,9H2,1-6H3;6-10H,1-5H3;7-9,11-12,16H,10H2,1-6H3;5-6,8-11H,7H2,1-4H3;5,7-10H,6H2,1-4H3;5-10H,1-4H3;5-9,14H,1-4H3;7-9H,5-6H2,1-4H3;5-9H,1-4H3;7-9H,5-6H2,1-4H3;5-9H,1-4H3;5-6,8-9H,7H2,1-4H3;2*6-10H,1-5H3;2*5-8H,1-4H3;2*7-8H,5-6H2,1-4H3;2*5-8H,1-4H3;2*5-7H,1-4H3 |
| InChIKey | BUTXDMOJGYCTGM-UHFFFAOYSA-N |
| XLogP | 88.96 |
| TPSA | 464.69 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 347 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4850.50 |
| LogP ≤ 5 | 88.96 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 42 |
Frequently Asked Questions
What is the IUPAC name of 1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene?
The IUPAC name of 1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene (CID 157468770) is 1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene.
What is the SMILES notation for 1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene?
The canonical SMILES for 1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene is CC(C)c1ccc(C(C)C)c(C[SiH](C)C)c1.CC(C)c1ccc(C(C)C)c2c1C=CC2.CC(C)c1ccc(C(C)C)c2c1CO[Si]2(C)C.CC(C)c1ccc(C(C)C)c2c1C[Si](C)(C)O2.CC(C)c1ccc(C(C)C)c2c1OCO2.CC(C)c1ccc(C(C)C)c2sccc12.CC(C)c1cnc(C(C)C)c2[nH]ccc12.CC(C)c1cnc(C(C)C)c2c1CC=C2.CC(C)c1cnc(C(C)C)c2c1CCO2.CC(C)c1cnc(C(C)C)c2c1OCC2.CC(C)c1cnc(C(C)C)c2occc12.CC(C)c1cnc(C(C)C)c2ocnc12.CC(C)c1cnc(C(C)C)c2scnc12.CC(C)c1ncc(C(C)C)c2occc12.CC(C)c1ncc(C(C)C)c2ocnc12.CC(C)c1ncc(C(C)C)c2scnc12.CC(C)c1nnc(C(C)C)c2c1CCO2.CC(C)c1nnc(C(C)C)c2c1CCO2.CC(C)c1nnc(C(C)C)c2ocnc12.CC(C)c1nnc(C(C)C)c2scnc12.Cc1cc(C(C)C)ccc1C(C)C.Cc1cc(C(C)C)ccc1C(C)C.Cc1csc2c(C(C)C)ccc(C(C)C)c12.
What is the InChIKey of 1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene?
The InChIKey is BUTXDMOJGYCTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H24OSi.C15H20S.C15H26Si.C15H20.C14H19N.C14H18S.C13H18N2.C13H19NO.C13H17NO.C13H19NO.C13H17NO.C13H18O2.2C13H20.2C12H16N2O.2C12H18N2O.2C12H16N2S.C11H15N3O.C11H15N3S/c1-10(2)12-7-8-13(11(3)4)15-14(12)9-17(5,6)16-15;1-10(2)12-7-8-13(11(3)4)15-14(12)9-16-17(15,5)6;1-9(2)12-6-7-13(10(3)4)15-14(12)11(5)8-16-15;1-11(2)13-7-8-15(12(3)4)14(9-13)10-16(5)6;1-10(2)12-8-9-13(11(3)4)15-7-5-6-14(12)15;1-9(2)13-8-15-14(10(3)4)12-7-5-6-11(12)13;1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;1-8(2)11-7-15-12(9(3)4)13-10(11)5-6-14-13;2*1-8(2)11-7-14-12(9(3)4)10-5-6-15-13(10)11;2*1-8(2)11-7-14-12(9(3)4)13-10(11)5-6-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;2*1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-7(2)9-5-13-10(8(3)4)11-12(9)15-6-14-11;1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;2*1-7(2)10-9-5-6-15-12(9)11(8(3)4)14-13-10;1-7(2)9-5-13-10(8(3)4)11-12(9)15-6-14-11;1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;2*1-6(2)8-10-11(15-5-12-10)9(7(3)4)14-13-8/h2*7-8,10-11H,9H2,1-6H3;6-10H,1-5H3;7-9,11-12,16H,10H2,1-6H3;5-6,8-11H,7H2,1-4H3;5,7-10H,6H2,1-4H3;5-10H,1-4H3;5-9,14H,1-4H3;7-9H,5-6H2,1-4H3;5-9H,1-4H3;7-9H,5-6H2,1-4H3;5-9H,1-4H3;5-6,8-9H,7H2,1-4H3;2*6-10H,1-5H3;2*5-8H,1-4H3;2*7-8H,5-6H2,1-4H3;2*5-8H,1-4H3;2*5-7H,1-4H3.
What are the key properties of 1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene?
1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene has a molecular weight of 4850.50 g/mol, XLogP of 88.96, 48 rotatable bonds, 1 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene is sourced from PubChem (CID 157468770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157468770 — identifiers, structure, computed properties (public domain)
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