ethyl (E)-2-acetamido-5-tributylstannylpent-4-enoate

C21H41NO3Sn — CID 11038074

IUPACethyl (E)-2-acetamido-5-tributylstannylpent-4-enoate
SMILESCCCC[Sn](/C=C/CC(NC(C)=O)C(=O)OCC)(CCCC)CCCC
InChIInChI=1S/C9H14NO3.3C4H9.Sn/c1-4-6-8(10-7(3)11)9(12)13-5-2;3*1-3-4-2;/h1,4,8H,5-6H2,2-3H3,(H,10,11);3*1,3-4H2,2H3;
InChIKeyGKAAAVZFKANKGP-UHFFFAOYSA-N
MW474.27 g/mol
LogP5.39
Rot. Bonds15

About ethyl (E)-2-acetamido-5-tributylstannylpent-4-enoate

ethyl (E)-2-acetamido-5-tributylstannylpent-4-enoate (PubChem CID 11038074) has the molecular formula C21H41NO3Sn and a molecular weight of 474.27 g/mol. Its IUPAC name is ethyl (E)-2-acetamido-5-tributylstannylpent-4-enoate.

Molecular Properties

Compound Nameethyl (E)-2-acetamido-5-tributylstannylpent-4-enoate
PubChem CID11038074
Molecular FormulaC21H41NO3Sn
Molecular Weight474.27 g/mol
Exact Mass475.21
IUPAC Nameethyl (E)-2-acetamido-5-tributylstannylpent-4-enoate
SMILESCCCC[Sn](/C=C/CC(NC(C)=O)C(=O)OCC)(CCCC)CCCC
InChIInChI=1S/C9H14NO3.3C4H9.Sn/c1-4-6-8(10-7(3)11)9(12)13-5-2;3*1-3-4-2;/h1,4,8H,5-6H2,2-3H3,(H,10,11);3*1,3-4H2,2H3;
InChIKeyGKAAAVZFKANKGP-UHFFFAOYSA-N
XLogP5.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.27
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-acetamido-5-tributylstannylpent-4-enoate?
The IUPAC name of ethyl (E)-2-acetamido-5-tributylstannylpent-4-enoate (CID 11038074) is ethyl (E)-2-acetamido-5-tributylstannylpent-4-enoate.
What is the SMILES notation for ethyl (E)-2-acetamido-5-tributylstannylpent-4-enoate?
The canonical SMILES for ethyl (E)-2-acetamido-5-tributylstannylpent-4-enoate is CCCC[Sn](/C=C/CC(NC(C)=O)C(=O)OCC)(CCCC)CCCC.
What is the InChIKey of ethyl (E)-2-acetamido-5-tributylstannylpent-4-enoate?
The InChIKey is GKAAAVZFKANKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NO3.3C4H9.Sn/c1-4-6-8(10-7(3)11)9(12)13-5-2;3*1-3-4-2;/h1,4,8H,5-6H2,2-3H3,(H,10,11);3*1,3-4H2,2H3;.
What are the key properties of ethyl (E)-2-acetamido-5-tributylstannylpent-4-enoate?
ethyl (E)-2-acetamido-5-tributylstannylpent-4-enoate has a molecular weight of 474.27 g/mol, XLogP of 5.39, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-acetamido-5-tributylstannylpent-4-enoate is sourced from PubChem (CID 11038074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).