benzyl-λ2-stannane;tris(prop-2-enoic acid)

C16H20O6Sn — CID 173132649

IUPACbenzyl-λ2-stannane;tris(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.C=CC(=O)O.[SnH]Cc1ccccc1
InChIInChI=1S/C7H7.3C3H4O2.Sn.H/c1-7-5-3-2-4-6-7;3*1-2-3(4)5;;/h2-6H,1H2;3*2H,1H2,(H,4,5);;
InChIKeyIWQSXWFWGLFKRJ-UHFFFAOYSA-N
MW427.04 g/mol
LogP1.86
Rot. Bonds4

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

benzyl-λ2-stannane;tris(prop-2-enoic acid) (PubChem CID 173132649) has the molecular formula C16H20O6Sn and a molecular weight of 427.04 g/mol. Its IUPAC name is benzyl-λ2-stannane;tris(prop-2-enoic acid).

Molecular Properties

Compound Namebenzyl-λ2-stannane;tris(prop-2-enoic acid)
PubChem CID173132649
Molecular FormulaC16H20O6Sn
Molecular Weight427.04 g/mol
Exact Mass428.03
IUPAC Namebenzyl-λ2-stannane;tris(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.C=CC(=O)O.[SnH]Cc1ccccc1
InChIInChI=1S/C7H7.3C3H4O2.Sn.H/c1-7-5-3-2-4-6-7;3*1-2-3(4)5;;/h2-6H,1H2;3*2H,1H2,(H,4,5);;
InChIKeyIWQSXWFWGLFKRJ-UHFFFAOYSA-N
XLogP1.86
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.04
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzyl-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

Related Compounds

phenylmethanamine;prop-2-enoic acid;hydrochloride
CID 174938765
benzyl hydrogen carbonate;prop-2-enoic acid
CID 68849942
2-benzylphenol;prop-2-enoic acid
CID 69011009
benzene;phenol;prop-2-enoic acid
CID 174875932
phenanthrene;prop-2-enoic acid
CID 88600118
prop-2-enoic acid;styrene
CID 160851252
prop-2-enoic acid;bis(1,2-xylene)
CID 175543794
phenol;bis(prop-2-enoic acid);hydrofluoride
CID 175753146
2-(dihydroxyamino)-3-phenylpropanoic acid;prop-2-enoic acid
CID 174675777
phenoxybenzene;prop-2-enoic acid
CID 66735010
N-phenylaniline;prop-2-enoic acid
CID 160759599
4-methyl-5-phenylpent-1-en-3-one
CID 21353103

Frequently Asked Questions

What is the IUPAC name of benzyl-λ2-stannane;tris(prop-2-enoic acid)?
The IUPAC name of benzyl-λ2-stannane;tris(prop-2-enoic acid) (CID 173132649) is benzyl-λ2-stannane;tris(prop-2-enoic acid).
What is the SMILES notation for benzyl-λ2-stannane;tris(prop-2-enoic acid)?
The canonical SMILES for benzyl-λ2-stannane;tris(prop-2-enoic acid) is C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.[SnH]Cc1ccccc1.
What is the InChIKey of benzyl-λ2-stannane;tris(prop-2-enoic acid)?
The InChIKey is IWQSXWFWGLFKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.3C3H4O2.Sn.H/c1-7-5-3-2-4-6-7;3*1-2-3(4)5;;/h2-6H,1H2;3*2H,1H2,(H,4,5);;.
What are the key properties of benzyl-λ2-stannane;tris(prop-2-enoic acid)?
benzyl-λ2-stannane;tris(prop-2-enoic acid) has a molecular weight of 427.04 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-λ2-stannane;tris(prop-2-enoic acid) is sourced from PubChem (CID 173132649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).