2-[[2-[(2-tert-butyl-2-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl)oxy]-4,6-difluoro-5-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane

C26H42F2N2O5Si2 — CID 123756088

About 2-[[2-[(2-tert-butyl-2-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl)oxy]-4,6-difluoro-5-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-[(2-tert-butyl-2-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl)oxy]-4,6-difluoro-5-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 123756088) has the molecular formula C26H42F2N2O5Si2 and a molecular weight of 556.80 g/mol. Its IUPAC name is 2-[[2-[(2-tert-butyl-2-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl)oxy]-4,6-difluoro-5-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[2-[(2-tert-butyl-2-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl)oxy]-4,6-difluoro-5-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 123756088
• Molecular Formula: C26H42F2N2O5Si2
• Molecular Weight: 556.80 g/mol
• Exact Mass: 556.26
• IUPAC Name: 2-[[2-[(2-tert-butyl-2-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl)oxy]-4,6-difluoro-5-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: Cc1c(F)cc2c(nc(OC3COC4CO[Si](C(C)C)(C(C)(C)C)OC43)n2COCC[Si](C)(C)C)c1F
• InChI: InChI=1S/C26H42F2N2O5Si2/c1-16(2)37(26(4,5)6)33-14-20-24(35-37)21(13-32-20)34-25-29-23-19(12-18(27)17(3)22(23)28)30(25)15-31-10-11-36(7,8)9/h12,16,20-21,24H,10-11,13-15H2,1-9H3
• InChIKey: IWLXUENJLFVUDQ-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 63.97 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.80
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-tert-butyl-2-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl)oxy]-4,6-difluoro-5-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[2-[(2-tert-butyl-2-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl)oxy]-4,6-difluoro-5-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 123756088) is 2-[[2-[(2-tert-butyl-2-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl)oxy]-4,6-difluoro-5-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[2-[(2-tert-butyl-2-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl)oxy]-4,6-difluoro-5-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[2-[(2-tert-butyl-2-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl)oxy]-4,6-difluoro-5-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1c(F)cc2c(nc(OC3COC4CO[Si](C(C)C)(C(C)(C)C)OC43)n2COCC[Si](C)(C)C)c1F.

What is the InChIKey of 2-[[2-[(2-tert-butyl-2-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl)oxy]-4,6-difluoro-5-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is IWLXUENJLFVUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42F2N2O5Si2/c1-16(2)37(26(4,5)6)33-14-20-24(35-37)21(13-32-20)34-25-29-23-19(12-18(27)17(3)22(23)28)30(25)15-31-10-11-36(7,8)9/h12,16,20-21,24H,10-11,13-15H2,1-9H3.

What are the key properties of 2-[[2-[(2-tert-butyl-2-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl)oxy]-4,6-difluoro-5-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?

2-[[2-[(2-tert-butyl-2-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl)oxy]-4,6-difluoro-5-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 556.80 g/mol, XLogP of 6.15, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[(2-tert-butyl-2-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl)oxy]-4,6-difluoro-5-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 123756088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).