dibutyl-[dibutyl-(3-methyl-2-pentylphenoxy)stannyl]oxy-(3-methyl-2-pentylphenoxy)stannane

C40H70O3Sn2 — CID 67501542

IUPACdibutyl-[dibutyl-(3-methyl-2-pentylphenoxy)stannyl]oxy-(3-methyl-2-pentylphenoxy)stannane
SMILESCCCCCc1c(C)cccc1O[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)Oc1cccc(C)c1CCCCC
InChIInChI=1S/2C12H18O.4C4H9.O.2Sn/c2*1-3-4-5-8-11-10(2)7-6-9-12(11)13;4*1-3-4-2;;;/h2*6-7,9,13H,3-5,8H2,1-2H3;4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKeyMQMBNYLXDKKSAJ-UHFFFAOYSA-L
MW836.42 g/mol
LogP13.33
Rot. Bonds26

About dibutyl-[dibutyl-(3-methyl-2-pentylphenoxy)stannyl]oxy-(3-methyl-2-pentylphenoxy)stannane

dibutyl-[dibutyl-(3-methyl-2-pentylphenoxy)stannyl]oxy-(3-methyl-2-pentylphenoxy)stannane (PubChem CID 67501542) has the molecular formula C40H70O3Sn2 and a molecular weight of 836.42 g/mol. Its IUPAC name is dibutyl-[dibutyl-(3-methyl-2-pentylphenoxy)stannyl]oxy-(3-methyl-2-pentylphenoxy)stannane.

Molecular Properties

Compound Namedibutyl-[dibutyl-(3-methyl-2-pentylphenoxy)stannyl]oxy-(3-methyl-2-pentylphenoxy)stannane
PubChem CID67501542
Molecular FormulaC40H70O3Sn2
Molecular Weight836.42 g/mol
Exact Mass838.34
IUPAC Namedibutyl-[dibutyl-(3-methyl-2-pentylphenoxy)stannyl]oxy-(3-methyl-2-pentylphenoxy)stannane
SMILESCCCCCc1c(C)cccc1O[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)Oc1cccc(C)c1CCCCC
InChIInChI=1S/2C12H18O.4C4H9.O.2Sn/c2*1-3-4-5-8-11-10(2)7-6-9-12(11)13;4*1-3-4-2;;;/h2*6-7,9,13H,3-5,8H2,1-2H3;4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKeyMQMBNYLXDKKSAJ-UHFFFAOYSA-L
XLogP13.33
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 ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-methyl-2-propylphenoxy)-[(3-methyl-2-propylphenoxy)-dioctylstannyl]oxy-dioctylstannane
CID 87424027
dibutyl-[dibutyl-(2-methyl-3-pentylphenoxy)stannyl]oxy-(2-methyl-3-pentylphenoxy)stannane
CID 67501540
bis(2-ethyl-3-methylphenoxy)-dioctylstannane
CID 67501334
dibutyl-[dibutyl-(2,3-dipropylphenoxy)stannyl]oxy-(2,3-dipropylphenoxy)stannane
CID 67502677
2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene
CID 175265756
bis(2,3-dipropylphenoxy)-dioctylstannane
CID 67501649
bis(3-ethyl-4-methyl-2-propylphenoxy)-dioctylstannane
CID 67502905
(3-methyl-2-octylphenyl) hydrogen carbonate
CID 67179564
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
2-hexyl-3-methylphenol
CID 28322

Frequently Asked Questions

What is the IUPAC name of dibutyl-[dibutyl-(3-methyl-2-pentylphenoxy)stannyl]oxy-(3-methyl-2-pentylphenoxy)stannane?
The IUPAC name of dibutyl-[dibutyl-(3-methyl-2-pentylphenoxy)stannyl]oxy-(3-methyl-2-pentylphenoxy)stannane (CID 67501542) is dibutyl-[dibutyl-(3-methyl-2-pentylphenoxy)stannyl]oxy-(3-methyl-2-pentylphenoxy)stannane.
What is the SMILES notation for dibutyl-[dibutyl-(3-methyl-2-pentylphenoxy)stannyl]oxy-(3-methyl-2-pentylphenoxy)stannane?
The canonical SMILES for dibutyl-[dibutyl-(3-methyl-2-pentylphenoxy)stannyl]oxy-(3-methyl-2-pentylphenoxy)stannane is CCCCCc1c(C)cccc1O[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)Oc1cccc(C)c1CCCCC.
What is the InChIKey of dibutyl-[dibutyl-(3-methyl-2-pentylphenoxy)stannyl]oxy-(3-methyl-2-pentylphenoxy)stannane?
The InChIKey is MQMBNYLXDKKSAJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H18O.4C4H9.O.2Sn/c2*1-3-4-5-8-11-10(2)7-6-9-12(11)13;4*1-3-4-2;;;/h2*6-7,9,13H,3-5,8H2,1-2H3;4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2.
What are the key properties of dibutyl-[dibutyl-(3-methyl-2-pentylphenoxy)stannyl]oxy-(3-methyl-2-pentylphenoxy)stannane?
dibutyl-[dibutyl-(3-methyl-2-pentylphenoxy)stannyl]oxy-(3-methyl-2-pentylphenoxy)stannane has a molecular weight of 836.42 g/mol, XLogP of 13.33, 26 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-[dibutyl-(3-methyl-2-pentylphenoxy)stannyl]oxy-(3-methyl-2-pentylphenoxy)stannane is sourced from PubChem (CID 67501542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).