[(4aR,8R,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane

C27H54O4SiSn — CID 135077219

IUPAC[(4aR,8R,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OC(C)(C)OC[C@H]2O1
InChIInChI=1S/C15H27O4Si.3C4H9.Sn/c1-14(2,3)20(6,7)19-11-8-9-16-12-10-17-15(4,5)18-13(11)12;3*1-3-4-2;/h8,11-13H,10H2,1-7H3;3*1,3-4H2,2H3;/t11-,12-,13+;;;;/m1..../s1
InChIKeyXXLQWONMXFCJED-VGDBHEHJSA-N
MW589.52 g/mol
LogP8.20
Rot. Bonds12

About [(4aR,8R,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane

[(4aR,8R,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 135077219) has the molecular formula C27H54O4SiSn and a molecular weight of 589.52 g/mol. Its IUPAC name is [(4aR,8R,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4aR,8R,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane
PubChem CID135077219
Molecular FormulaC27H54O4SiSn
Molecular Weight589.52 g/mol
Exact Mass590.28
IUPAC Name[(4aR,8R,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OC(C)(C)OC[C@H]2O1
InChIInChI=1S/C15H27O4Si.3C4H9.Sn/c1-14(2,3)20(6,7)19-11-8-9-16-12-10-17-15(4,5)18-13(11)12;3*1-3-4-2;/h8,11-13H,10H2,1-7H3;3*1,3-4H2,2H3;/t11-,12-,13+;;;;/m1..../s1
InChIKeyXXLQWONMXFCJED-VGDBHEHJSA-N
XLogP8.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.52
LogP ≤ 58.20
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-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-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-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4aR,8R,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane (CID 135077219) is [(4aR,8R,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4aR,8R,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4aR,8R,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane is CCCC[Sn](CCCC)(CCCC)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OC(C)(C)OC[C@H]2O1.
What is the InChIKey of [(4aR,8R,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is XXLQWONMXFCJED-VGDBHEHJSA-N. The full InChI is InChI=1S/C15H27O4Si.3C4H9.Sn/c1-14(2,3)20(6,7)19-11-8-9-16-12-10-17-15(4,5)18-13(11)12;3*1-3-4-2;/h8,11-13H,10H2,1-7H3;3*1,3-4H2,2H3;/t11-,12-,13+;;;;/m1..../s1.
What are the key properties of [(4aR,8R,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane?
[(4aR,8R,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 589.52 g/mol, XLogP of 8.20, 12 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-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 135077219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).