[(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane

C21H42O4Si2 — CID 102211181

IUPAC[(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@@H]1C=C(C)O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]12
InChIInChI=1S/C21H42O4Si2/c1-11-26(12-2,13-3)24-17-14-16(4)23-18-15-22-27(20(5,6)7,21(8,9)10)25-19(17)18/h14,17-19H,11-13,15H2,1-10H3/t17-,18-,19+/m1/s1
InChIKeyFEMXMPLIQFGZJK-QRVBRYPASA-N
MW414.74 g/mol
LogP6.14
Rot. Bonds5

About [(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane

[(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane (PubChem CID 102211181) has the molecular formula C21H42O4Si2 and a molecular weight of 414.74 g/mol. Its IUPAC name is [(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane
PubChem CID102211181
Molecular FormulaC21H42O4Si2
Molecular Weight414.74 g/mol
Exact Mass414.26
IUPAC Name[(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@@H]1C=C(C)O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]12
InChIInChI=1S/C21H42O4Si2/c1-11-26(12-2,13-3)24-17-14-16(4)23-18-15-22-27(20(5,6)7,21(8,9)10)25-19(17)18/h14,17-19H,11-13,15H2,1-10H3/t17-,18-,19+/m1/s1
InChIKeyFEMXMPLIQFGZJK-QRVBRYPASA-N
XLogP6.14
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.74
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane?
The IUPAC name of [(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane (CID 102211181) is [(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane.
What is the SMILES notation for [(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane?
The canonical SMILES for [(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane is CC[Si](CC)(CC)O[C@@H]1C=C(C)O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]12.
What is the InChIKey of [(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane?
The InChIKey is FEMXMPLIQFGZJK-QRVBRYPASA-N. The full InChI is InChI=1S/C21H42O4Si2/c1-11-26(12-2,13-3)24-17-14-16(4)23-18-15-22-27(20(5,6)7,21(8,9)10)25-19(17)18/h14,17-19H,11-13,15H2,1-10H3/t17-,18-,19+/m1/s1.
What are the key properties of [(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane?
[(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane has a molecular weight of 414.74 g/mol, XLogP of 6.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane is sourced from PubChem (CID 102211181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).