iodo-tris(2-methyl-2-phenylpropyl)stannane

C30H39ISn — CID 12970290

IUPACiodo-tris(2-methyl-2-phenylpropyl)stannane
SMILESCC(C)(C[Sn](I)(CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/3C10H13.HI.Sn/c3*1-10(2,3)9-7-5-4-6-8-9;;/h3*4-8H,1H2,2-3H3;1H;/q;;;;+1/p-1
InChIKeyMANGHXUPGXLHIC-UHFFFAOYSA-M
MW645.26 g/mol
LogP9.30
Rot. Bonds9

About iodo-tris(2-methyl-2-phenylpropyl)stannane

iodo-tris(2-methyl-2-phenylpropyl)stannane (PubChem CID 12970290) has the molecular formula C30H39ISn and a molecular weight of 645.26 g/mol. Its IUPAC name is iodo-tris(2-methyl-2-phenylpropyl)stannane.

Molecular Properties

Compound Nameiodo-tris(2-methyl-2-phenylpropyl)stannane
PubChem CID12970290
Molecular FormulaC30H39ISn
Molecular Weight645.26 g/mol
Exact Mass646.11
IUPAC Nameiodo-tris(2-methyl-2-phenylpropyl)stannane
SMILESCC(C)(C[Sn](I)(CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/3C10H13.HI.Sn/c3*1-10(2,3)9-7-5-4-6-8-9;;/h3*4-8H,1H2,2-3H3;1H;/q;;;;+1/p-1
InChIKeyMANGHXUPGXLHIC-UHFFFAOYSA-M
XLogP9.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.26
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze iodo-tris(2-methyl-2-phenylpropyl)stannane 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

bis(4-chlorophenyl)-bis(2-methyl-2-phenylpropyl)stannane
CID 14822958
(2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene
CID 164800464
1-phenyl-2-tris(2-methyl-2-phenylpropyl)stannylbut-2-en-1-one
CID 71378447
CID 158792811
CID 158792811
Trineophyltin hydride
CID 6327208
(Z)-3-tris(2-methyl-2-phenylpropyl)stannylbut-2-en-1-ol
CID 177408312
(4-chloro-2,4-dimethylpentan-2-yl)benzene
CID 13095883
chloro-methyl-(2-methyl-2-phenylpropyl)-[4-(trifluoromethyl)phenyl]stannane
CID 12697455
(Z)-1-phenyl-3-tris(2-methyl-2-phenylpropyl)stannylprop-2-en-1-one
CID 11262273
(2-methyl-1-phosphorosooxypropan-2-yl)benzene
CID 175140149
(2-methyl-2-phenylpropyl) hydrogen carbonate
CID 150979314
methanamine;methane;2,4,4-trimethylpentan-2-ylbenzene
CID 144516441

Frequently Asked Questions

What is the IUPAC name of iodo-tris(2-methyl-2-phenylpropyl)stannane?
The IUPAC name of iodo-tris(2-methyl-2-phenylpropyl)stannane (CID 12970290) is iodo-tris(2-methyl-2-phenylpropyl)stannane.
What is the SMILES notation for iodo-tris(2-methyl-2-phenylpropyl)stannane?
The canonical SMILES for iodo-tris(2-methyl-2-phenylpropyl)stannane is CC(C)(C[Sn](I)(CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1)c1ccccc1.
What is the InChIKey of iodo-tris(2-methyl-2-phenylpropyl)stannane?
The InChIKey is MANGHXUPGXLHIC-UHFFFAOYSA-M. The full InChI is InChI=1S/3C10H13.HI.Sn/c3*1-10(2,3)9-7-5-4-6-8-9;;/h3*4-8H,1H2,2-3H3;1H;/q;;;;+1/p-1.
What are the key properties of iodo-tris(2-methyl-2-phenylpropyl)stannane?
iodo-tris(2-methyl-2-phenylpropyl)stannane has a molecular weight of 645.26 g/mol, XLogP of 9.30, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-tris(2-methyl-2-phenylpropyl)stannane is sourced from PubChem (CID 12970290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).