methyl (1R)-2,2-dimethyl-1-tributylstannyl-3-trimethylsilylcyclopropane-1-carboxylate

C22H46O2SiSn — CID 134970454

IUPACmethyl (1R)-2,2-dimethyl-1-tributylstannyl-3-trimethylsilylcyclopropane-1-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)[C@]1(C(=O)OC)C([Si](C)(C)C)C1(C)C
InChIInChI=1S/C10H19O2Si.3C4H9.Sn/c1-10(2)7(9(11)12-3)8(10)13(4,5)6;3*1-3-4-2;/h8H,1-6H3;3*1,3-4H2,2H3;
InChIKeyIFPWZSZHZMHSDG-UHFFFAOYSA-N
MW489.41 g/mol
LogP7.50
Rot. Bonds12

About methyl (1R)-2,2-dimethyl-1-tributylstannyl-3-trimethylsilylcyclopropane-1-carboxylate

methyl (1R)-2,2-dimethyl-1-tributylstannyl-3-trimethylsilylcyclopropane-1-carboxylate (PubChem CID 134970454) has the molecular formula C22H46O2SiSn and a molecular weight of 489.41 g/mol. Its IUPAC name is methyl (1R)-2,2-dimethyl-1-tributylstannyl-3-trimethylsilylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R)-2,2-dimethyl-1-tributylstannyl-3-trimethylsilylcyclopropane-1-carboxylate
PubChem CID134970454
Molecular FormulaC22H46O2SiSn
Molecular Weight489.41 g/mol
Exact Mass490.23
IUPAC Namemethyl (1R)-2,2-dimethyl-1-tributylstannyl-3-trimethylsilylcyclopropane-1-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)[C@]1(C(=O)OC)C([Si](C)(C)C)C1(C)C
InChIInChI=1S/C10H19O2Si.3C4H9.Sn/c1-10(2)7(9(11)12-3)8(10)13(4,5)6;3*1-3-4-2;/h8H,1-6H3;3*1,3-4H2,2H3;
InChIKeyIFPWZSZHZMHSDG-UHFFFAOYSA-N
XLogP7.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.41
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (1R)-2,2-dimethyl-1-tributylstannyl-3-trimethylsilylcyclopropane-1-carboxylate?
The IUPAC name of methyl (1R)-2,2-dimethyl-1-tributylstannyl-3-trimethylsilylcyclopropane-1-carboxylate (CID 134970454) is methyl (1R)-2,2-dimethyl-1-tributylstannyl-3-trimethylsilylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl (1R)-2,2-dimethyl-1-tributylstannyl-3-trimethylsilylcyclopropane-1-carboxylate?
The canonical SMILES for methyl (1R)-2,2-dimethyl-1-tributylstannyl-3-trimethylsilylcyclopropane-1-carboxylate is CCCC[Sn](CCCC)(CCCC)[C@]1(C(=O)OC)C([Si](C)(C)C)C1(C)C.
What is the InChIKey of methyl (1R)-2,2-dimethyl-1-tributylstannyl-3-trimethylsilylcyclopropane-1-carboxylate?
The InChIKey is IFPWZSZHZMHSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O2Si.3C4H9.Sn/c1-10(2)7(9(11)12-3)8(10)13(4,5)6;3*1-3-4-2;/h8H,1-6H3;3*1,3-4H2,2H3;.
What are the key properties of methyl (1R)-2,2-dimethyl-1-tributylstannyl-3-trimethylsilylcyclopropane-1-carboxylate?
methyl (1R)-2,2-dimethyl-1-tributylstannyl-3-trimethylsilylcyclopropane-1-carboxylate has a molecular weight of 489.41 g/mol, XLogP of 7.50, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R)-2,2-dimethyl-1-tributylstannyl-3-trimethylsilylcyclopropane-1-carboxylate is sourced from PubChem (CID 134970454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).