dibutyl-[dibutyl-(3-ethyl-2-methyl-4-propylphenoxy)stannyl]oxy-(3-ethyl-2-methyl-4-propylphenoxy)stannane

C40H70O3Sn2 — CID 67502370

IUPACdibutyl-[dibutyl-(3-ethyl-2-methyl-4-propylphenoxy)stannyl]oxy-(3-ethyl-2-methyl-4-propylphenoxy)stannane
SMILESCCCC[Sn](CCCC)(Oc1ccc(CCC)c(CC)c1C)O[Sn](CCCC)(CCCC)Oc1ccc(CCC)c(CC)c1C
InChIInChI=1S/2C12H18O.4C4H9.O.2Sn/c2*1-4-6-10-7-8-12(13)9(3)11(10)5-2;4*1-3-4-2;;;/h2*7-8,13H,4-6H2,1-3H3;4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKeyWJTOXJZZRYZCCP-UHFFFAOYSA-L
MW836.42 g/mol
LogP12.89
Rot. Bonds24

About dibutyl-[dibutyl-(3-ethyl-2-methyl-4-propylphenoxy)stannyl]oxy-(3-ethyl-2-methyl-4-propylphenoxy)stannane

dibutyl-[dibutyl-(3-ethyl-2-methyl-4-propylphenoxy)stannyl]oxy-(3-ethyl-2-methyl-4-propylphenoxy)stannane (PubChem CID 67502370) has the molecular formula C40H70O3Sn2 and a molecular weight of 836.42 g/mol. Its IUPAC name is dibutyl-[dibutyl-(3-ethyl-2-methyl-4-propylphenoxy)stannyl]oxy-(3-ethyl-2-methyl-4-propylphenoxy)stannane.

Molecular Properties

Compound Namedibutyl-[dibutyl-(3-ethyl-2-methyl-4-propylphenoxy)stannyl]oxy-(3-ethyl-2-methyl-4-propylphenoxy)stannane
PubChem CID67502370
Molecular FormulaC40H70O3Sn2
Molecular Weight836.42 g/mol
Exact Mass838.34
IUPAC Namedibutyl-[dibutyl-(3-ethyl-2-methyl-4-propylphenoxy)stannyl]oxy-(3-ethyl-2-methyl-4-propylphenoxy)stannane
SMILESCCCC[Sn](CCCC)(Oc1ccc(CCC)c(CC)c1C)O[Sn](CCCC)(CCCC)Oc1ccc(CCC)c(CC)c1C
InChIInChI=1S/2C12H18O.4C4H9.O.2Sn/c2*1-4-6-10-7-8-12(13)9(3)11(10)5-2;4*1-3-4-2;;;/h2*7-8,13H,4-6H2,1-3H3;4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKeyWJTOXJZZRYZCCP-UHFFFAOYSA-L
XLogP12.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.42
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dibutyl-[dibutyl-(2,3-dipropylphenoxy)stannyl]oxy-(2,3-dipropylphenoxy)stannane
CID 67502677
dibutyl-[dibutyl-(2-methyl-3-pentylphenoxy)stannyl]oxy-(2-methyl-3-pentylphenoxy)stannane
CID 67501540
2-ethyl-3-methyl-1,4-dipropylbenzene
CID 155697581
bis(3-ethyl-4-methyl-2-propylphenoxy)-dioctylstannane
CID 67502905
dibutyl-[dibutyl-(3-methyl-2-pentylphenoxy)stannyl]oxy-(3-methyl-2-pentylphenoxy)stannane
CID 67501542
(3-methyl-2-propylphenoxy)-[(3-methyl-2-propylphenoxy)-dioctylstannyl]oxy-dioctylstannane
CID 87424027
(3,4-dibutyl-2-methylphenoxy)phosphane
CID 91430477
bis(2,3-dipropylphenoxy)-dioctylstannane
CID 67501649
bis(2-ethyl-3-methylphenoxy)-dioctylstannane
CID 67501334
dihydroxy-sulfanylidene-(2,3,4-trihexylphenoxy)-λ5-phosphane
CID 23331135
tris(2,3,4-tributylphenyl) borate
CID 68718164
1,2,3,4-tetrabutylbenzene
CID 11220391

Frequently Asked Questions

What is the IUPAC name of dibutyl-[dibutyl-(3-ethyl-2-methyl-4-propylphenoxy)stannyl]oxy-(3-ethyl-2-methyl-4-propylphenoxy)stannane?
The IUPAC name of dibutyl-[dibutyl-(3-ethyl-2-methyl-4-propylphenoxy)stannyl]oxy-(3-ethyl-2-methyl-4-propylphenoxy)stannane (CID 67502370) is dibutyl-[dibutyl-(3-ethyl-2-methyl-4-propylphenoxy)stannyl]oxy-(3-ethyl-2-methyl-4-propylphenoxy)stannane.
What is the SMILES notation for dibutyl-[dibutyl-(3-ethyl-2-methyl-4-propylphenoxy)stannyl]oxy-(3-ethyl-2-methyl-4-propylphenoxy)stannane?
The canonical SMILES for dibutyl-[dibutyl-(3-ethyl-2-methyl-4-propylphenoxy)stannyl]oxy-(3-ethyl-2-methyl-4-propylphenoxy)stannane is CCCC[Sn](CCCC)(Oc1ccc(CCC)c(CC)c1C)O[Sn](CCCC)(CCCC)Oc1ccc(CCC)c(CC)c1C.
What is the InChIKey of dibutyl-[dibutyl-(3-ethyl-2-methyl-4-propylphenoxy)stannyl]oxy-(3-ethyl-2-methyl-4-propylphenoxy)stannane?
The InChIKey is WJTOXJZZRYZCCP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H18O.4C4H9.O.2Sn/c2*1-4-6-10-7-8-12(13)9(3)11(10)5-2;4*1-3-4-2;;;/h2*7-8,13H,4-6H2,1-3H3;4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2.
What are the key properties of dibutyl-[dibutyl-(3-ethyl-2-methyl-4-propylphenoxy)stannyl]oxy-(3-ethyl-2-methyl-4-propylphenoxy)stannane?
dibutyl-[dibutyl-(3-ethyl-2-methyl-4-propylphenoxy)stannyl]oxy-(3-ethyl-2-methyl-4-propylphenoxy)stannane has a molecular weight of 836.42 g/mol, XLogP of 12.89, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-[dibutyl-(3-ethyl-2-methyl-4-propylphenoxy)stannyl]oxy-(3-ethyl-2-methyl-4-propylphenoxy)stannane is sourced from PubChem (CID 67502370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).