dibutyltin;bis((4-hydroxyphenyl) acetate)

C24H34O6Sn — CID 67791458

IUPACdibutyltin;bis((4-hydroxyphenyl) acetate)
SMILESCC(=O)Oc1ccc(O)cc1.CC(=O)Oc1ccc(O)cc1.CCCC[Sn]CCCC
InChIInChI=1S/2C8H8O3.2C4H9.Sn/c2*1-6(9)11-8-4-2-7(10)3-5-8;2*1-3-4-2;/h2*2-5,10H,1H3;2*1,3-4H2,2H3;
InChIKeyQPKKWXGOXXSMHT-UHFFFAOYSA-N
MW537.24 g/mol
LogP5.76
Rot. Bonds8

About dibutyltin;bis((4-hydroxyphenyl) acetate)

dibutyltin;bis((4-hydroxyphenyl) acetate) (PubChem CID 67791458) has the molecular formula C24H34O6Sn and a molecular weight of 537.24 g/mol. Its IUPAC name is dibutyltin;bis((4-hydroxyphenyl) acetate).

Molecular Properties

Compound Namedibutyltin;bis((4-hydroxyphenyl) acetate)
PubChem CID67791458
Molecular FormulaC24H34O6Sn
Molecular Weight537.24 g/mol
Exact Mass538.14
IUPAC Namedibutyltin;bis((4-hydroxyphenyl) acetate)
SMILESCC(=O)Oc1ccc(O)cc1.CC(=O)Oc1ccc(O)cc1.CCCC[Sn]CCCC
InChIInChI=1S/2C8H8O3.2C4H9.Sn/c2*1-6(9)11-8-4-2-7(10)3-5-8;2*1-3-4-2;/h2*2-5,10H,1H3;2*1,3-4H2,2H3;
InChIKeyQPKKWXGOXXSMHT-UHFFFAOYSA-N
XLogP5.76
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.24
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze dibutyltin;bis((4-hydroxyphenyl) acetate) 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-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenyl] acetate
CID 71316043
(4-acetyloxyphenyl) acetate;ethanamine
CID 160806185
[4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenyl] acetate
CID 139697360
(4-decylphenyl) acetate
CID 57064765
[4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate
CID 143452404
butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
CID 117065204
(4-pentoxyphenyl) 4-acetyloxybenzoate
CID 101317512
6-(4-acetyloxybenzoyl)oxyhexyl 4-acetyloxybenzoate
CID 54565430
(4-acetyloxyphenyl) 2,2-dimethylbutanoate
CID 89117927
[4-[(1S)-1-aminopentyl]phenyl] acetate;hydrochloride
CID 171229400
[4-(pentylcarbamoyl)phenyl] acetate
CID 3357255
ethyl 4-(4-acetyloxyphenyl)benzoate
CID 122206053

Frequently Asked Questions

What is the IUPAC name of dibutyltin;bis((4-hydroxyphenyl) acetate)?
The IUPAC name of dibutyltin;bis((4-hydroxyphenyl) acetate) (CID 67791458) is dibutyltin;bis((4-hydroxyphenyl) acetate).
What is the SMILES notation for dibutyltin;bis((4-hydroxyphenyl) acetate)?
The canonical SMILES for dibutyltin;bis((4-hydroxyphenyl) acetate) is CC(=O)Oc1ccc(O)cc1.CC(=O)Oc1ccc(O)cc1.CCCC[Sn]CCCC.
What is the InChIKey of dibutyltin;bis((4-hydroxyphenyl) acetate)?
The InChIKey is QPKKWXGOXXSMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8O3.2C4H9.Sn/c2*1-6(9)11-8-4-2-7(10)3-5-8;2*1-3-4-2;/h2*2-5,10H,1H3;2*1,3-4H2,2H3;.
What are the key properties of dibutyltin;bis((4-hydroxyphenyl) acetate)?
dibutyltin;bis((4-hydroxyphenyl) acetate) has a molecular weight of 537.24 g/mol, XLogP of 5.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin;bis((4-hydroxyphenyl) acetate) is sourced from PubChem (CID 67791458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).