dimethyltin;methyl prop-2-enoate

C6H12O2Sn — CID 174578648

IUPACdimethyltin;methyl prop-2-enoate
SMILESC=CC(=O)OC.C[Sn]C
InChIInChI=1S/C4H6O2.2CH3.Sn/c1-3-4(5)6-2;;;/h3H,1H2,2H3;2*1H3;
InChIKeyIABOXNHWZDMNFS-UHFFFAOYSA-N
MW234.87 g/mol
LogP1.13
Rot. Bonds1

About dimethyltin;methyl prop-2-enoate

dimethyltin;methyl prop-2-enoate (PubChem CID 174578648) has the molecular formula C6H12O2Sn and a molecular weight of 234.87 g/mol. Its IUPAC name is dimethyltin;methyl prop-2-enoate.

Molecular Properties

Compound Namedimethyltin;methyl prop-2-enoate
PubChem CID174578648
Molecular FormulaC6H12O2Sn
Molecular Weight234.87 g/mol
Exact Mass235.99
IUPAC Namedimethyltin;methyl prop-2-enoate
SMILESC=CC(=O)OC.C[Sn]C
InChIInChI=1S/C4H6O2.2CH3.Sn/c1-3-4(5)6-2;;;/h3H,1H2,2H3;2*1H3;
InChIKeyIABOXNHWZDMNFS-UHFFFAOYSA-N
XLogP1.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.87
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
N-methylmethanamine;methyl prop-2-enoate
CID 160519545
methyl prop-2-enoate;zinc;hydroiodide
CID 174920800
bis(methyl prop-2-enoate);propane
CID 160610529
ethenoxyethene;methyl prop-2-enoate
CID 159119515
methyl prop-2-enoate;sulfuric acid
CID 174506127
diiodolead;methyl prop-2-enoate
CID 175762695
methyl prop-2-enoate;phosphoric acid
CID 174689976
benzene;ethene;methyl prop-2-enoate
CID 174897686
cyclobutane;methyl prop-2-enoate;hydrate
CID 157183952
chloroform;methyl prop-2-enoate
CID 123529405
(Z)-but-2-enedioic acid;bis(methyl prop-2-enoate)
CID 174373219

Frequently Asked Questions

What is the IUPAC name of dimethyltin;methyl prop-2-enoate?
The IUPAC name of dimethyltin;methyl prop-2-enoate (CID 174578648) is dimethyltin;methyl prop-2-enoate.
What is the SMILES notation for dimethyltin;methyl prop-2-enoate?
The canonical SMILES for dimethyltin;methyl prop-2-enoate is C=CC(=O)OC.C[Sn]C.
What is the InChIKey of dimethyltin;methyl prop-2-enoate?
The InChIKey is IABOXNHWZDMNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.2CH3.Sn/c1-3-4(5)6-2;;;/h3H,1H2,2H3;2*1H3;.
What are the key properties of dimethyltin;methyl prop-2-enoate?
dimethyltin;methyl prop-2-enoate has a molecular weight of 234.87 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyltin;methyl prop-2-enoate is sourced from PubChem (CID 174578648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).