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

C21H42O4Si2 — CID 102211180

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-tert-butyl-dimethylsilane
SMILESCC1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]2O1
InChIInChI=1S/C21H42O4Si2/c1-15-13-16(24-26(11,12)19(2,3)4)18-17(23-15)14-22-27(25-18,20(5,6)7)21(8,9)10/h13,16-18H,14H2,1-12H3/t16-,17-,18+/m1/s1
InChIKeyXSQBIRIOEJJZDK-KURKYZTESA-N
MW414.74 g/mol
LogP6.14
Rot. Bonds2

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-tert-butyl-dimethylsilane

[(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 102211180) 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-tert-butyl-dimethylsilane.

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-tert-butyl-dimethylsilane
PubChem CID102211180
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-tert-butyl-dimethylsilane
SMILESCC1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]2O1
InChIInChI=1S/C21H42O4Si2/c1-15-13-16(24-26(11,12)19(2,3)4)18-17(23-15)14-22-27(25-18,20(5,6)7)21(8,9)10/h13,16-18H,14H2,1-12H3/t16-,17-,18+/m1/s1
InChIKeyXSQBIRIOEJJZDK-KURKYZTESA-N
XLogP6.14
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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-tert-butyl-dimethylsilane 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-tert-butyl-dimethylsilane?
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-tert-butyl-dimethylsilane (CID 102211180) 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-tert-butyl-dimethylsilane.
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-tert-butyl-dimethylsilane?
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-tert-butyl-dimethylsilane is CC1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]2O1.
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-tert-butyl-dimethylsilane?
The InChIKey is XSQBIRIOEJJZDK-KURKYZTESA-N. The full InChI is InChI=1S/C21H42O4Si2/c1-15-13-16(24-26(11,12)19(2,3)4)18-17(23-15)14-22-27(25-18,20(5,6)7)21(8,9)10/h13,16-18H,14H2,1-12H3/t16-,17-,18+/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-tert-butyl-dimethylsilane?
[(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 414.74 g/mol, XLogP of 6.14, 2 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-tert-butyl-dimethylsilane is sourced from PubChem (CID 102211180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).