4-trimethylstannylbutan-2-one

C7H16OSn — CID 13411454

IUPAC4-trimethylstannylbutan-2-one
SMILESCC(=O)CC[Sn](C)(C)C
InChIInChI=1S/C4H7O.3CH3.Sn/c1-3-4(2)5;;;;/h1,3H2,2H3;3*1H3;
InChIKeyGWFUMGIEPNAWEW-UHFFFAOYSA-N
MW234.91 g/mol
LogP2.30
Rot. Bonds3

About 4-trimethylstannylbutan-2-one

4-trimethylstannylbutan-2-one (PubChem CID 13411454) has the molecular formula C7H16OSn and a molecular weight of 234.91 g/mol. Its IUPAC name is 4-trimethylstannylbutan-2-one.

Molecular Properties

Compound Name4-trimethylstannylbutan-2-one
PubChem CID13411454
Molecular FormulaC7H16OSn
Molecular Weight234.91 g/mol
Exact Mass236.02
IUPAC Name4-trimethylstannylbutan-2-one
SMILESCC(=O)CC[Sn](C)(C)C
InChIInChI=1S/C4H7O.3CH3.Sn/c1-3-4(2)5;;;;/h1,3H2,2H3;3*1H3;
InChIKeyGWFUMGIEPNAWEW-UHFFFAOYSA-N
XLogP2.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.91
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-trimethylstannylbutan-2-one?
The IUPAC name of 4-trimethylstannylbutan-2-one (CID 13411454) is 4-trimethylstannylbutan-2-one.
What is the SMILES notation for 4-trimethylstannylbutan-2-one?
The canonical SMILES for 4-trimethylstannylbutan-2-one is CC(=O)CC[Sn](C)(C)C.
What is the InChIKey of 4-trimethylstannylbutan-2-one?
The InChIKey is GWFUMGIEPNAWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O.3CH3.Sn/c1-3-4(2)5;;;;/h1,3H2,2H3;3*1H3;.
What are the key properties of 4-trimethylstannylbutan-2-one?
4-trimethylstannylbutan-2-one has a molecular weight of 234.91 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylstannylbutan-2-one is sourced from PubChem (CID 13411454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).