prop-2-enyl 3-tris(3-oxo-3-prop-2-enoxypropyl)stannylpropanoate

C24H36O8Sn — CID 23330193

IUPACprop-2-enyl 3-tris(3-oxo-3-prop-2-enoxypropyl)stannylpropanoate
SMILESC=CCOC(=O)CC[Sn](CCC(=O)OCC=C)(CCC(=O)OCC=C)CCC(=O)OCC=C
InChIInChI=1S/4C6H9O2.Sn/c4*1-3-5-8-6(7)4-2;/h4*3H,1-2,4-5H2;
InChIKeyNMFSMCIFXICFGB-UHFFFAOYSA-N
MW571.26 g/mol
LogP3.91
Rot. Bonds20

About prop-2-enyl 3-tris(3-oxo-3-prop-2-enoxypropyl)stannylpropanoate

prop-2-enyl 3-tris(3-oxo-3-prop-2-enoxypropyl)stannylpropanoate (PubChem CID 23330193) has the molecular formula C24H36O8Sn and a molecular weight of 571.26 g/mol. Its IUPAC name is prop-2-enyl 3-tris(3-oxo-3-prop-2-enoxypropyl)stannylpropanoate.

Molecular Properties

Compound Nameprop-2-enyl 3-tris(3-oxo-3-prop-2-enoxypropyl)stannylpropanoate
PubChem CID23330193
Molecular FormulaC24H36O8Sn
Molecular Weight571.26 g/mol
Exact Mass572.14
IUPAC Nameprop-2-enyl 3-tris(3-oxo-3-prop-2-enoxypropyl)stannylpropanoate
SMILESC=CCOC(=O)CC[Sn](CCC(=O)OCC=C)(CCC(=O)OCC=C)CCC(=O)OCC=C
InChIInChI=1S/4C6H9O2.Sn/c4*1-3-5-8-6(7)4-2;/h4*3H,1-2,4-5H2;
InChIKeyNMFSMCIFXICFGB-UHFFFAOYSA-N
XLogP3.91
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.26
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze prop-2-enyl 3-tris(3-oxo-3-prop-2-enoxypropyl)stannylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-O-(4-oxo-4-prop-2-enoxybutanoyl) 1-O-prop-2-enyl butanedioate
CID 11822629
prop-2-enyl 4-hydroxybutanoate
CID 11367059
CID 173441278
CID 173441278
8-oxo-8-prop-2-enoxyoctanoic acid
CID 71357331
10-O-ethenyl 1-O-prop-2-enyl decanedioate
CID 87433585
5-oxo-5-prop-2-enoxypentanoate
CID 22245436
bis(prop-2-enyl) but-2-enedioate;bis(prop-2-enyl) hexanedioate
CID 173434680
bis(prop-2-enyl) (2R)-2-aminopentanedioate
CID 87603171
prop-2-enyl 2-tributylstannylacetate
CID 13096282
prop-2-enyl 6-formamidohexanoate
CID 12006461
azane;prop-2-enyl but-3-enoate
CID 88514758
magnesium;bis(prop-2-enyl) propanedioate;hydride
CID 173327866

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-tris(3-oxo-3-prop-2-enoxypropyl)stannylpropanoate?
The IUPAC name of prop-2-enyl 3-tris(3-oxo-3-prop-2-enoxypropyl)stannylpropanoate (CID 23330193) is prop-2-enyl 3-tris(3-oxo-3-prop-2-enoxypropyl)stannylpropanoate.
What is the SMILES notation for prop-2-enyl 3-tris(3-oxo-3-prop-2-enoxypropyl)stannylpropanoate?
The canonical SMILES for prop-2-enyl 3-tris(3-oxo-3-prop-2-enoxypropyl)stannylpropanoate is C=CCOC(=O)CC[Sn](CCC(=O)OCC=C)(CCC(=O)OCC=C)CCC(=O)OCC=C.
What is the InChIKey of prop-2-enyl 3-tris(3-oxo-3-prop-2-enoxypropyl)stannylpropanoate?
The InChIKey is NMFSMCIFXICFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H9O2.Sn/c4*1-3-5-8-6(7)4-2;/h4*3H,1-2,4-5H2;.
What are the key properties of prop-2-enyl 3-tris(3-oxo-3-prop-2-enoxypropyl)stannylpropanoate?
prop-2-enyl 3-tris(3-oxo-3-prop-2-enoxypropyl)stannylpropanoate has a molecular weight of 571.26 g/mol, XLogP of 3.91, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-tris(3-oxo-3-prop-2-enoxypropyl)stannylpropanoate is sourced from PubChem (CID 23330193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).