3-tributylstannylcyclobut-2-en-1-one

C16H30OSn — CID 10428388

IUPAC3-tributylstannylcyclobut-2-en-1-one
SMILESCCCC[Sn](CCCC)(CCCC)C1=CC(=O)C1
InChIInChI=1S/C4H3O.3C4H9.Sn/c5-4-2-1-3-4;3*1-3-4-2;/h2H,3H2;3*1,3-4H2,2H3;
InChIKeyYDWJDUWWCNILSC-UHFFFAOYSA-N
MW357.13 g/mol
LogP5.27
Rot. Bonds10

About 3-tributylstannylcyclobut-2-en-1-one

3-tributylstannylcyclobut-2-en-1-one (PubChem CID 10428388) has the molecular formula C16H30OSn and a molecular weight of 357.13 g/mol. Its IUPAC name is 3-tributylstannylcyclobut-2-en-1-one.

Molecular Properties

Compound Name3-tributylstannylcyclobut-2-en-1-one
PubChem CID10428388
Molecular FormulaC16H30OSn
Molecular Weight357.13 g/mol
Exact Mass358.13
IUPAC Name3-tributylstannylcyclobut-2-en-1-one
SMILESCCCC[Sn](CCCC)(CCCC)C1=CC(=O)C1
InChIInChI=1S/C4H3O.3C4H9.Sn/c5-4-2-1-3-4;3*1-3-4-2;/h2H,3H2;3*1,3-4H2,2H3;
InChIKeyYDWJDUWWCNILSC-UHFFFAOYSA-N
XLogP5.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.13
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tributylstannylcyclobut-2-en-1-one?
The IUPAC name of 3-tributylstannylcyclobut-2-en-1-one (CID 10428388) is 3-tributylstannylcyclobut-2-en-1-one.
What is the SMILES notation for 3-tributylstannylcyclobut-2-en-1-one?
The canonical SMILES for 3-tributylstannylcyclobut-2-en-1-one is CCCC[Sn](CCCC)(CCCC)C1=CC(=O)C1.
What is the InChIKey of 3-tributylstannylcyclobut-2-en-1-one?
The InChIKey is YDWJDUWWCNILSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3O.3C4H9.Sn/c5-4-2-1-3-4;3*1-3-4-2;/h2H,3H2;3*1,3-4H2,2H3;.
What are the key properties of 3-tributylstannylcyclobut-2-en-1-one?
3-tributylstannylcyclobut-2-en-1-one has a molecular weight of 357.13 g/mol, XLogP of 5.27, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tributylstannylcyclobut-2-en-1-one is sourced from PubChem (CID 10428388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).