[(4aR,8S,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane

C30H60O4SiSn — CID 134974917

IUPAC[(4aR,8S,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane
SMILESCCCC[Sn](CCCC)(CCCC)C1=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2OC(C)(C)OC[C@H]2O1
InChIInChI=1S/C18H33O4Si.3C4H9.Sn/c1-12(2)23(13(3)4,14(5)6)22-15-9-10-19-16-11-20-18(7,8)21-17(15)16;3*1-3-4-2;/h9,12-17H,11H2,1-8H3;3*1,3-4H2,2H3;/t15-,16+,17-;;;;/m0..../s1
InChIKeyYGNRHESCFOQCBQ-SCOFEPKLSA-N
MW631.60 g/mol
LogP9.37
Rot. Bonds15

About [(4aR,8S,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane

[(4aR,8S,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane (PubChem CID 134974917) has the molecular formula C30H60O4SiSn and a molecular weight of 631.60 g/mol. Its IUPAC name is [(4aR,8S,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(4aR,8S,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane
PubChem CID134974917
Molecular FormulaC30H60O4SiSn
Molecular Weight631.60 g/mol
Exact Mass632.33
IUPAC Name[(4aR,8S,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane
SMILESCCCC[Sn](CCCC)(CCCC)C1=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2OC(C)(C)OC[C@H]2O1
InChIInChI=1S/C18H33O4Si.3C4H9.Sn/c1-12(2)23(13(3)4,14(5)6)22-15-9-10-19-16-11-20-18(7,8)21-17(15)16;3*1-3-4-2;/h9,12-17H,11H2,1-8H3;3*1,3-4H2,2H3;/t15-,16+,17-;;;;/m0..../s1
InChIKeyYGNRHESCFOQCBQ-SCOFEPKLSA-N
XLogP9.37
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.60
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(4aR,8S,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4aR,8S,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(4aR,8S,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane (CID 134974917) is [(4aR,8S,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(4aR,8S,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(4aR,8S,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane is CCCC[Sn](CCCC)(CCCC)C1=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2OC(C)(C)OC[C@H]2O1.
What is the InChIKey of [(4aR,8S,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is YGNRHESCFOQCBQ-SCOFEPKLSA-N. The full InChI is InChI=1S/C18H33O4Si.3C4H9.Sn/c1-12(2)23(13(3)4,14(5)6)22-15-9-10-19-16-11-20-18(7,8)21-17(15)16;3*1-3-4-2;/h9,12-17H,11H2,1-8H3;3*1,3-4H2,2H3;/t15-,16+,17-;;;;/m0..../s1.
What are the key properties of [(4aR,8S,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane?
[(4aR,8S,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 631.60 g/mol, XLogP of 9.37, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8S,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 134974917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).