bis(2-methylprop-2-enoate);prop-2-enoate;tris(tributylstannanylium)

C47H94O6Sn3 — CID 173422883

IUPACbis(2-methylprop-2-enoate);prop-2-enoate;tris(tributylstannanylium)
SMILESC=C(C)C(=O)[O-].C=C(C)C(=O)[O-].C=CC(=O)[O-].CCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC
InChIInChI=1S/2C4H6O2.9C4H9.C3H4O2.3Sn/c2*1-3(2)4(5)6;9*1-3-4-2;1-2-3(4)5;;;/h2*1H2,2H3,(H,5,6);9*1,3-4H2,2H3;2H,1H2,(H,4,5);;;/q;;;;;;;;;;;;3*+1/p-3
InChIKeyRPUSYOGNZXXYHE-UHFFFAOYSA-K
MW1111.40 g/mol
LogP12.19
Rot. Bonds30

About bis(2-methylprop-2-enoate);prop-2-enoate;tris(tributylstannanylium)

bis(2-methylprop-2-enoate);prop-2-enoate;tris(tributylstannanylium) (PubChem CID 173422883) has the molecular formula C47H94O6Sn3 and a molecular weight of 1111.40 g/mol. Its IUPAC name is bis(2-methylprop-2-enoate);prop-2-enoate;tris(tributylstannanylium).

Molecular Properties

Compound Namebis(2-methylprop-2-enoate);prop-2-enoate;tris(tributylstannanylium)
PubChem CID173422883
Molecular FormulaC47H94O6Sn3
Molecular Weight1111.40 g/mol
Exact Mass1114.41
IUPAC Namebis(2-methylprop-2-enoate);prop-2-enoate;tris(tributylstannanylium)
SMILESC=C(C)C(=O)[O-].C=C(C)C(=O)[O-].C=CC(=O)[O-].CCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC
InChIInChI=1S/2C4H6O2.9C4H9.C3H4O2.3Sn/c2*1-3(2)4(5)6;9*1-3-4-2;1-2-3(4)5;;;/h2*1H2,2H3,(H,5,6);9*1,3-4H2,2H3;2H,1H2,(H,4,5);;;/q;;;;;;;;;;;;3*+1/p-3
InChIKeyRPUSYOGNZXXYHE-UHFFFAOYSA-K
XLogP12.19
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds30
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001111.40
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(2-methylprop-2-enoate);prop-2-enoate;tris(tributylstannanylium) 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

dizinc;bis(2-methylprop-2-enoate);bis(prop-2-enoate)
CID 157058574
butan-1-amine;prop-2-enoate
CID 21324935
2-sulfanylacetate;tributylstannanylium
CID 161006550
2-methylprop-2-enoate;tributylsilanylium
CID 159425085
tributylstannanylium formate
CID 22167734
tetrakis(prop-2-enoate);tin(4+);trihexylalumane
CID 174668720
bis(octan-1-ol);bis(prop-2-enoate);zirconium(2+)
CID 159808494
tetralithium;ethenyl-dioxido-oxo-λ5-phosphane;2-methylprop-2-enoate;prop-2-enoate
CID 142698046
2-methylprop-2-enoate
CID 19005746
copper;dodecanoate;2-methylprop-2-enoate
CID 130339555
copper(1+);octadecanoate;prop-2-enoate
CID 22987501
butyl(triethyl)azanium;2-methylprop-2-enoate
CID 139889730

Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-2-enoate);prop-2-enoate;tris(tributylstannanylium)?
The IUPAC name of bis(2-methylprop-2-enoate);prop-2-enoate;tris(tributylstannanylium) (CID 173422883) is bis(2-methylprop-2-enoate);prop-2-enoate;tris(tributylstannanylium).
What is the SMILES notation for bis(2-methylprop-2-enoate);prop-2-enoate;tris(tributylstannanylium)?
The canonical SMILES for bis(2-methylprop-2-enoate);prop-2-enoate;tris(tributylstannanylium) is C=C(C)C(=O)[O-].C=C(C)C(=O)[O-].C=CC(=O)[O-].CCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC.
What is the InChIKey of bis(2-methylprop-2-enoate);prop-2-enoate;tris(tributylstannanylium)?
The InChIKey is RPUSYOGNZXXYHE-UHFFFAOYSA-K. The full InChI is InChI=1S/2C4H6O2.9C4H9.C3H4O2.3Sn/c2*1-3(2)4(5)6;9*1-3-4-2;1-2-3(4)5;;;/h2*1H2,2H3,(H,5,6);9*1,3-4H2,2H3;2H,1H2,(H,4,5);;;/q;;;;;;;;;;;;3*+1/p-3.
What are the key properties of bis(2-methylprop-2-enoate);prop-2-enoate;tris(tributylstannanylium)?
bis(2-methylprop-2-enoate);prop-2-enoate;tris(tributylstannanylium) has a molecular weight of 1111.40 g/mol, XLogP of 12.19, 30 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-2-enoate);prop-2-enoate;tris(tributylstannanylium) is sourced from PubChem (CID 173422883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).