tert-butyl-λ2-stannane;tris(prop-2-enoic acid)

C13H22O6Sn — CID 173132453

IUPACtert-butyl-λ2-stannane;tris(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.C=CC(=O)O.CC(C)(C)[SnH]
InChIInChI=1S/C4H9.3C3H4O2.Sn.H/c1-4(2)3;3*1-2-3(4)5;;/h1-3H3;3*2H,1H2,(H,4,5);;
InChIKeyYJLFGEUKWNWZKA-UHFFFAOYSA-N
MW393.02 g/mol
LogP1.88
Rot. Bonds3

About tert-butyl-λ2-stannane;tris(prop-2-enoic acid)

tert-butyl-λ2-stannane;tris(prop-2-enoic acid) (PubChem CID 173132453) has the molecular formula C13H22O6Sn and a molecular weight of 393.02 g/mol. Its IUPAC name is tert-butyl-λ2-stannane;tris(prop-2-enoic acid).

Molecular Properties

Compound Nametert-butyl-λ2-stannane;tris(prop-2-enoic acid)
PubChem CID173132453
Molecular FormulaC13H22O6Sn
Molecular Weight393.02 g/mol
Exact Mass394.04
IUPAC Nametert-butyl-λ2-stannane;tris(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.C=CC(=O)O.CC(C)(C)[SnH]
InChIInChI=1S/C4H9.3C3H4O2.Sn.H/c1-4(2)3;3*1-2-3(4)5;;/h1-3H3;3*2H,1H2,(H,4,5);;
InChIKeyYJLFGEUKWNWZKA-UHFFFAOYSA-N
XLogP1.88
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.02
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-λ2-stannane;tris(prop-2-enoic acid) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-λ2-stannane;tris(prop-2-enoic acid)?
The IUPAC name of tert-butyl-λ2-stannane;tris(prop-2-enoic acid) (CID 173132453) is tert-butyl-λ2-stannane;tris(prop-2-enoic acid).
What is the SMILES notation for tert-butyl-λ2-stannane;tris(prop-2-enoic acid)?
The canonical SMILES for tert-butyl-λ2-stannane;tris(prop-2-enoic acid) is C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.CC(C)(C)[SnH].
What is the InChIKey of tert-butyl-λ2-stannane;tris(prop-2-enoic acid)?
The InChIKey is YJLFGEUKWNWZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.3C3H4O2.Sn.H/c1-4(2)3;3*1-2-3(4)5;;/h1-3H3;3*2H,1H2,(H,4,5);;.
What are the key properties of tert-butyl-λ2-stannane;tris(prop-2-enoic acid)?
tert-butyl-λ2-stannane;tris(prop-2-enoic acid) has a molecular weight of 393.02 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-λ2-stannane;tris(prop-2-enoic acid) is sourced from PubChem (CID 173132453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).