dibutyl-[dibutyl-(2,3-dipropylphenoxy)stannyl]oxy-(2,3-dipropylphenoxy)stannane

C40H70O3Sn2 — CID 67502677

IUPACdibutyl-[dibutyl-(2,3-dipropylphenoxy)stannyl]oxy-(2,3-dipropylphenoxy)stannane
SMILESCCCC[Sn](CCCC)(Oc1cccc(CCC)c1CCC)O[Sn](CCCC)(CCCC)Oc1cccc(CCC)c1CCC
InChIInChI=1S/2C12H18O.4C4H9.O.2Sn/c2*1-3-6-10-8-5-9-12(13)11(10)7-4-2;4*1-3-4-2;;;/h2*5,8-9,13H,3-4,6-7H2,1-2H3;4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKeyGYCGAEUWAYFXNW-UHFFFAOYSA-L
MW836.42 g/mol
LogP13.06
Rot. Bonds26

About dibutyl-[dibutyl-(2,3-dipropylphenoxy)stannyl]oxy-(2,3-dipropylphenoxy)stannane

dibutyl-[dibutyl-(2,3-dipropylphenoxy)stannyl]oxy-(2,3-dipropylphenoxy)stannane (PubChem CID 67502677) has the molecular formula C40H70O3Sn2 and a molecular weight of 836.42 g/mol. Its IUPAC name is dibutyl-[dibutyl-(2,3-dipropylphenoxy)stannyl]oxy-(2,3-dipropylphenoxy)stannane.

Molecular Properties

Compound Namedibutyl-[dibutyl-(2,3-dipropylphenoxy)stannyl]oxy-(2,3-dipropylphenoxy)stannane
PubChem CID67502677
Molecular FormulaC40H70O3Sn2
Molecular Weight836.42 g/mol
Exact Mass838.34
IUPAC Namedibutyl-[dibutyl-(2,3-dipropylphenoxy)stannyl]oxy-(2,3-dipropylphenoxy)stannane
SMILESCCCC[Sn](CCCC)(Oc1cccc(CCC)c1CCC)O[Sn](CCCC)(CCCC)Oc1cccc(CCC)c1CCC
InChIInChI=1S/2C12H18O.4C4H9.O.2Sn/c2*1-3-6-10-8-5-9-12(13)11(10)7-4-2;4*1-3-4-2;;;/h2*5,8-9,13H,3-4,6-7H2,1-2H3;4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKeyGYCGAEUWAYFXNW-UHFFFAOYSA-L
XLogP13.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.42
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze dibutyl-[dibutyl-(2,3-dipropylphenoxy)stannyl]oxy-(2,3-dipropylphenoxy)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(2,3-dipropylphenoxy)-dioctylstannane
CID 67501649
(3-methyl-2-propylphenoxy)-[(3-methyl-2-propylphenoxy)-dioctylstannyl]oxy-dioctylstannane
CID 87424027
dibutyl-[dibutyl-(3-methyl-2-pentylphenoxy)stannyl]oxy-(3-methyl-2-pentylphenoxy)stannane
CID 67501542
dibutyl-[dibutyl-(2-methyl-3-pentylphenoxy)stannyl]oxy-(2-methyl-3-pentylphenoxy)stannane
CID 67501540
dibutyl-[dibutyl-(3-ethyl-2-methyl-4-propylphenoxy)stannyl]oxy-(3-ethyl-2-methyl-4-propylphenoxy)stannane
CID 67502370
bis(2-butylphenoxy)-dioctylstannane
CID 67503102
bis(2-hexylphenoxy)-dioctylstannane
CID 16703988
1-(2,3-dipentylphenoxy)-2,3-dipentylbenzene
CID 70140001
CID 66641444
CID 66641444
bis(2-ethylphenoxy)-dioctylstannane
CID 67502723
1-phenylperoxy-2,3-dipropylbenzene
CID 56612441
2-decyl-1-phenoxy-3-propylbenzene
CID 141351783

Frequently Asked Questions

What is the IUPAC name of dibutyl-[dibutyl-(2,3-dipropylphenoxy)stannyl]oxy-(2,3-dipropylphenoxy)stannane?
The IUPAC name of dibutyl-[dibutyl-(2,3-dipropylphenoxy)stannyl]oxy-(2,3-dipropylphenoxy)stannane (CID 67502677) is dibutyl-[dibutyl-(2,3-dipropylphenoxy)stannyl]oxy-(2,3-dipropylphenoxy)stannane.
What is the SMILES notation for dibutyl-[dibutyl-(2,3-dipropylphenoxy)stannyl]oxy-(2,3-dipropylphenoxy)stannane?
The canonical SMILES for dibutyl-[dibutyl-(2,3-dipropylphenoxy)stannyl]oxy-(2,3-dipropylphenoxy)stannane is CCCC[Sn](CCCC)(Oc1cccc(CCC)c1CCC)O[Sn](CCCC)(CCCC)Oc1cccc(CCC)c1CCC.
What is the InChIKey of dibutyl-[dibutyl-(2,3-dipropylphenoxy)stannyl]oxy-(2,3-dipropylphenoxy)stannane?
The InChIKey is GYCGAEUWAYFXNW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H18O.4C4H9.O.2Sn/c2*1-3-6-10-8-5-9-12(13)11(10)7-4-2;4*1-3-4-2;;;/h2*5,8-9,13H,3-4,6-7H2,1-2H3;4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2.
What are the key properties of dibutyl-[dibutyl-(2,3-dipropylphenoxy)stannyl]oxy-(2,3-dipropylphenoxy)stannane?
dibutyl-[dibutyl-(2,3-dipropylphenoxy)stannyl]oxy-(2,3-dipropylphenoxy)stannane has a molecular weight of 836.42 g/mol, XLogP of 13.06, 26 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-[dibutyl-(2,3-dipropylphenoxy)stannyl]oxy-(2,3-dipropylphenoxy)stannane is sourced from PubChem (CID 67502677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).