dimethyl 2-(tributylstannylmethyl)-4-(2-trimethylsilylprop-2-enyl)pentanedioate

C26H52O4SiSn — CID 177384734

IUPACdimethyl 2-(tributylstannylmethyl)-4-(2-trimethylsilylprop-2-enyl)pentanedioate
SMILESC=C(CC(CC(C[Sn](CCCC)(CCCC)CCCC)C(=O)OC)C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C14H25O4Si.3C4H9.Sn/c1-10(13(15)17-3)8-12(14(16)18-4)9-11(2)19(5,6)7;3*1-3-4-2;/h10,12H,1-2,8-9H2,3-7H3;3*1,3-4H2,2H3;
InChIKeyNGMFWRYRKRJJIX-UHFFFAOYSA-N
MW575.50 g/mol
LogP7.63
Rot. Bonds18

About dimethyl 2-(tributylstannylmethyl)-4-(2-trimethylsilylprop-2-enyl)pentanedioate

dimethyl 2-(tributylstannylmethyl)-4-(2-trimethylsilylprop-2-enyl)pentanedioate (PubChem CID 177384734) has the molecular formula C26H52O4SiSn and a molecular weight of 575.50 g/mol. Its IUPAC name is dimethyl 2-(tributylstannylmethyl)-4-(2-trimethylsilylprop-2-enyl)pentanedioate.

Molecular Properties

Compound Namedimethyl 2-(tributylstannylmethyl)-4-(2-trimethylsilylprop-2-enyl)pentanedioate
PubChem CID177384734
Molecular FormulaC26H52O4SiSn
Molecular Weight575.50 g/mol
Exact Mass576.27
IUPAC Namedimethyl 2-(tributylstannylmethyl)-4-(2-trimethylsilylprop-2-enyl)pentanedioate
SMILESC=C(CC(CC(C[Sn](CCCC)(CCCC)CCCC)C(=O)OC)C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C14H25O4Si.3C4H9.Sn/c1-10(13(15)17-3)8-12(14(16)18-4)9-11(2)19(5,6)7;3*1-3-4-2;/h10,12H,1-2,8-9H2,3-7H3;3*1,3-4H2,2H3;
InChIKeyNGMFWRYRKRJJIX-UHFFFAOYSA-N
XLogP7.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.50
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 dimethyl 2-(tributylstannylmethyl)-4-(2-trimethylsilylprop-2-enyl)pentanedioate?
The IUPAC name of dimethyl 2-(tributylstannylmethyl)-4-(2-trimethylsilylprop-2-enyl)pentanedioate (CID 177384734) is dimethyl 2-(tributylstannylmethyl)-4-(2-trimethylsilylprop-2-enyl)pentanedioate.
What is the SMILES notation for dimethyl 2-(tributylstannylmethyl)-4-(2-trimethylsilylprop-2-enyl)pentanedioate?
The canonical SMILES for dimethyl 2-(tributylstannylmethyl)-4-(2-trimethylsilylprop-2-enyl)pentanedioate is C=C(CC(CC(C[Sn](CCCC)(CCCC)CCCC)C(=O)OC)C(=O)OC)[Si](C)(C)C.
What is the InChIKey of dimethyl 2-(tributylstannylmethyl)-4-(2-trimethylsilylprop-2-enyl)pentanedioate?
The InChIKey is NGMFWRYRKRJJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25O4Si.3C4H9.Sn/c1-10(13(15)17-3)8-12(14(16)18-4)9-11(2)19(5,6)7;3*1-3-4-2;/h10,12H,1-2,8-9H2,3-7H3;3*1,3-4H2,2H3;.
What are the key properties of dimethyl 2-(tributylstannylmethyl)-4-(2-trimethylsilylprop-2-enyl)pentanedioate?
dimethyl 2-(tributylstannylmethyl)-4-(2-trimethylsilylprop-2-enyl)pentanedioate has a molecular weight of 575.50 g/mol, XLogP of 7.63, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(tributylstannylmethyl)-4-(2-trimethylsilylprop-2-enyl)pentanedioate is sourced from PubChem (CID 177384734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).