tert-butyl-[2-[(3S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3-methyloxolan-2-yl]ethoxy]-dimethylsilane

C26H54O5Si2 — CID 134954932

About tert-butyl-[2-[(3S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3-methyloxolan-2-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[(3S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3-methyloxolan-2-yl]ethoxy]-dimethylsilane (PubChem CID 134954932) has the molecular formula C26H54O5Si2 and a molecular weight of 502.89 g/mol. Its IUPAC name is tert-butyl-[2-[(3S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3-methyloxolan-2-yl]ethoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[2-[(3S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3-methyloxolan-2-yl]ethoxy]-dimethylsilane
• PubChem CID: 134954932
• Molecular Formula: C26H54O5Si2
• Molecular Weight: 502.89 g/mol
• Exact Mass: 502.35
• IUPAC Name: tert-butyl-[2-[(3S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3-methyloxolan-2-yl]ethoxy]-dimethylsilane
• SMILES: C[C@H]1CC([C@H](C[C@H]2COC(C)(C)O2)O[Si](C)(C)C(C)(C)C)OC1CCO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C26H54O5Si2/c1-19-16-22(29-21(19)14-15-28-32(10,11)24(2,3)4)23(31-33(12,13)25(5,6)7)17-20-18-27-26(8,9)30-20/h19-23H,14-18H2,1-13H3/t19-,20-,21?,22?,23-/m0/s1
• InChIKey: OETCPBFRDNGBSU-QWKGLCRKSA-N
• XLogP: 7.12
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.89
LogP ≤ 5	7.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(3S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3-methyloxolan-2-yl]ethoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[2-[(3S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3-methyloxolan-2-yl]ethoxy]-dimethylsilane (CID 134954932) is tert-butyl-[2-[(3S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3-methyloxolan-2-yl]ethoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[2-[(3S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3-methyloxolan-2-yl]ethoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[2-[(3S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3-methyloxolan-2-yl]ethoxy]-dimethylsilane is C[C@H]1CC([C@H](C[C@H]2COC(C)(C)O2)O[Si](C)(C)C(C)(C)C)OC1CCO[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[2-[(3S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3-methyloxolan-2-yl]ethoxy]-dimethylsilane?

The InChIKey is OETCPBFRDNGBSU-QWKGLCRKSA-N. The full InChI is InChI=1S/C26H54O5Si2/c1-19-16-22(29-21(19)14-15-28-32(10,11)24(2,3)4)23(31-33(12,13)25(5,6)7)17-20-18-27-26(8,9)30-20/h19-23H,14-18H2,1-13H3/t19-,20-,21?,22?,23-/m0/s1.

What are the key properties of tert-butyl-[2-[(3S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3-methyloxolan-2-yl]ethoxy]-dimethylsilane?

tert-butyl-[2-[(3S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3-methyloxolan-2-yl]ethoxy]-dimethylsilane has a molecular weight of 502.89 g/mol, XLogP of 7.12, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[2-[(3S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3-methyloxolan-2-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 134954932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).