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-benzothiophene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;methane;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene

C125H188N4O3S3Si3 — CID 158348490

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-benzothiophene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;methane;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-benzothiophene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;methane;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene (PubChem CID 158348490) has the molecular formula C125H188N4O3S3Si3 and a molecular weight of 1975.36 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-benzothiophene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;methane;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-benzothiophene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;methane;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene
• PubChem CID: 158348490
• Molecular Formula: C125H188N4O3S3Si3
• Molecular Weight: 1975.36 g/mol
• Exact Mass: 1973.32
• 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-benzothiophene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;methane;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene
• SMILES: C.CC(C)c1ccc(C(C)C)c(C[SiH](C)C)c1.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)c2sccc12.CC(C)c1cnc(C(C)C)c2ocnc12.CC(C)c1cnc(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.C14H18S.2C13H20.C12H16N2O.C12H16N2S.CH4/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;1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;2*1-9(2)12-6-7-13(10(3)4)11(5)8-12;2*1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;/h2*7-8,10-11H,9H2,1-6H3;6-10H,1-5H3;7-9,11-12,16H,10H2,1-6H3;5-10H,1-4H3;2*6-10H,1-5H3;2*5-8H,1-4H3;1H4
• InChIKey: GSAIFDBCSRYWTK-UHFFFAOYSA-N
• XLogP: 40.12
• TPSA: 83.16 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1975.36
LogP ≤ 5	40.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

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-benzothiophene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;methane;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-benzothiophene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;methane;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene (CID 158348490) 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-benzothiophene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;methane;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-benzothiophene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;methane;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-benzothiophene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;methane;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene is C.CC(C)c1ccc(C(C)C)c(C[SiH](C)C)c1.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)c2sccc12.CC(C)c1cnc(C(C)C)c2ocnc12.CC(C)c1cnc(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-benzothiophene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;methane;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene?

The InChIKey is GSAIFDBCSRYWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H24OSi.C15H20S.C15H26Si.C14H18S.2C13H20.C12H16N2O.C12H16N2S.CH4/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;1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;2*1-9(2)12-6-7-13(10(3)4)11(5)8-12;2*1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;/h2*7-8,10-11H,9H2,1-6H3;6-10H,1-5H3;7-9,11-12,16H,10H2,1-6H3;5-10H,1-4H3;2*6-10H,1-5H3;2*5-8H,1-4H3;1H4.

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-benzothiophene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;methane;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-benzothiophene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;methane;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 1975.36 g/mol, XLogP of 40.12, 20 rotatable bonds, 0 hydrogen bond donors, and 10 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-benzothiophene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;methane;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 158348490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).