bis(2,3-dipropylphenoxy)-dioctylstannane

C40H68O2Sn — CID 67501649

IUPACbis(2,3-dipropylphenoxy)-dioctylstannane
SMILESCCCCCCCC[Sn](CCCCCCCC)(Oc1cccc(CCC)c1CCC)Oc1cccc(CCC)c1CCC
InChIInChI=1S/2C12H18O.2C8H17.Sn/c2*1-3-6-10-8-5-9-12(13)11(10)7-4-2;2*1-3-5-7-8-6-4-2;/h2*5,8-9,13H,3-4,6-7H2,1-2H3;2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKeyWLFXFXUHJXIEBI-UHFFFAOYSA-L
MW699.69 g/mol
LogP13.12
Rot. Bonds26

About bis(2,3-dipropylphenoxy)-dioctylstannane

bis(2,3-dipropylphenoxy)-dioctylstannane (PubChem CID 67501649) has the molecular formula C40H68O2Sn and a molecular weight of 699.69 g/mol. Its IUPAC name is bis(2,3-dipropylphenoxy)-dioctylstannane.

Molecular Properties

Compound Namebis(2,3-dipropylphenoxy)-dioctylstannane
PubChem CID67501649
Molecular FormulaC40H68O2Sn
Molecular Weight699.69 g/mol
Exact Mass700.42
IUPAC Namebis(2,3-dipropylphenoxy)-dioctylstannane
SMILESCCCCCCCC[Sn](CCCCCCCC)(Oc1cccc(CCC)c1CCC)Oc1cccc(CCC)c1CCC
InChIInChI=1S/2C12H18O.2C8H17.Sn/c2*1-3-6-10-8-5-9-12(13)11(10)7-4-2;2*1-3-5-7-8-6-4-2;/h2*5,8-9,13H,3-4,6-7H2,1-2H3;2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKeyWLFXFXUHJXIEBI-UHFFFAOYSA-L
XLogP13.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.69
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dibutyl-[dibutyl-(2,3-dipropylphenoxy)stannyl]oxy-(2,3-dipropylphenoxy)stannane
CID 67502677
bis(2-butylphenoxy)-dioctylstannane
CID 67503102
bis(2-hexylphenoxy)-dioctylstannane
CID 16703988
(3-methyl-2-propylphenoxy)-[(3-methyl-2-propylphenoxy)-dioctylstannyl]oxy-dioctylstannane
CID 87424027
bis(2-ethylphenoxy)-dioctylstannane
CID 67502723
bis(2-ethyl-3-methylphenoxy)-dioctylstannane
CID 67501334
bis(3-ethyl-4-methyl-2-propylphenoxy)-dioctylstannane
CID 67502905
2-decyl-1-phenoxy-3-propylbenzene
CID 141351783
1,3-dioctyl-2-propylbenzene
CID 90707443
2-propyl-1,3-di(tricosyl)benzene
CID 90723374
1-(2,3-dipentylphenoxy)-2,3-dipentylbenzene
CID 70140001
dibutyl-[dibutyl-(3-methyl-2-pentylphenoxy)stannyl]oxy-(3-methyl-2-pentylphenoxy)stannane
CID 67501542

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dipropylphenoxy)-dioctylstannane?
The IUPAC name of bis(2,3-dipropylphenoxy)-dioctylstannane (CID 67501649) is bis(2,3-dipropylphenoxy)-dioctylstannane.
What is the SMILES notation for bis(2,3-dipropylphenoxy)-dioctylstannane?
The canonical SMILES for bis(2,3-dipropylphenoxy)-dioctylstannane is CCCCCCCC[Sn](CCCCCCCC)(Oc1cccc(CCC)c1CCC)Oc1cccc(CCC)c1CCC.
What is the InChIKey of bis(2,3-dipropylphenoxy)-dioctylstannane?
The InChIKey is WLFXFXUHJXIEBI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H18O.2C8H17.Sn/c2*1-3-6-10-8-5-9-12(13)11(10)7-4-2;2*1-3-5-7-8-6-4-2;/h2*5,8-9,13H,3-4,6-7H2,1-2H3;2*1,3-8H2,2H3;/q;;;;+2/p-2.
What are the key properties of bis(2,3-dipropylphenoxy)-dioctylstannane?
bis(2,3-dipropylphenoxy)-dioctylstannane has a molecular weight of 699.69 g/mol, XLogP of 13.12, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dipropylphenoxy)-dioctylstannane is sourced from PubChem (CID 67501649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).