dibutyl-bis[2-(2-methylpentan-2-yl)phenoxy]stannane

C32H52O2Sn — CID 67502104

IUPACdibutyl-bis[2-(2-methylpentan-2-yl)phenoxy]stannane
SMILESCCCC[Sn](CCCC)(Oc1ccccc1C(C)(C)CCC)Oc1ccccc1C(C)(C)CCC
InChIInChI=1S/2C12H18O.2C4H9.Sn/c2*1-4-9-12(2,3)10-7-5-6-8-11(10)13;2*1-3-4-2;/h2*5-8,13H,4,9H2,1-3H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyGIJUYCMHAPULHS-UHFFFAOYSA-L
MW587.48 g/mol
LogP10.34
Rot. Bonds16

About dibutyl-bis[2-(2-methylpentan-2-yl)phenoxy]stannane

dibutyl-bis[2-(2-methylpentan-2-yl)phenoxy]stannane (PubChem CID 67502104) has the molecular formula C32H52O2Sn and a molecular weight of 587.48 g/mol. Its IUPAC name is dibutyl-bis[2-(2-methylpentan-2-yl)phenoxy]stannane.

Molecular Properties

Compound Namedibutyl-bis[2-(2-methylpentan-2-yl)phenoxy]stannane
PubChem CID67502104
Molecular FormulaC32H52O2Sn
Molecular Weight587.48 g/mol
Exact Mass588.30
IUPAC Namedibutyl-bis[2-(2-methylpentan-2-yl)phenoxy]stannane
SMILESCCCC[Sn](CCCC)(Oc1ccccc1C(C)(C)CCC)Oc1ccccc1C(C)(C)CCC
InChIInChI=1S/2C12H18O.2C4H9.Sn/c2*1-4-9-12(2,3)10-7-5-6-8-11(10)13;2*1-3-4-2;/h2*5-8,13H,4,9H2,1-3H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyGIJUYCMHAPULHS-UHFFFAOYSA-L
XLogP10.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.48
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-2-(2-methylundecan-2-yl)benzene
CID 56625929
bis(2-ethylphenoxy)-dioctylstannane
CID 67502723
bis(2-butylphenoxy)-dioctylstannane
CID 67503102
bis(2-hexylphenoxy)-dioctylstannane
CID 16703988
CID 67612483
CID 67612483
1-(2-methylpentan-2-yl)phenanthrene
CID 154130631
2,6-bis(2-methylpentan-2-yl)phenol
CID 19809768
1-methyl-2-(2-methylnonan-2-yl)benzene
CID 173398829
bis(2-ethyl-3-methylphenoxy)-dioctylstannane
CID 67501334
1-methoxy-2-(9-methylnonadecan-9-yl)benzene
CID 135163718
2-(2-methylpentan-2-yl)benzonitrile
CID 68719325
dibutyl-[dibutyl-(3-methyl-2-pentylphenoxy)stannyl]oxy-(3-methyl-2-pentylphenoxy)stannane
CID 67501542

Frequently Asked Questions

What is the IUPAC name of dibutyl-bis[2-(2-methylpentan-2-yl)phenoxy]stannane?
The IUPAC name of dibutyl-bis[2-(2-methylpentan-2-yl)phenoxy]stannane (CID 67502104) is dibutyl-bis[2-(2-methylpentan-2-yl)phenoxy]stannane.
What is the SMILES notation for dibutyl-bis[2-(2-methylpentan-2-yl)phenoxy]stannane?
The canonical SMILES for dibutyl-bis[2-(2-methylpentan-2-yl)phenoxy]stannane is CCCC[Sn](CCCC)(Oc1ccccc1C(C)(C)CCC)Oc1ccccc1C(C)(C)CCC.
What is the InChIKey of dibutyl-bis[2-(2-methylpentan-2-yl)phenoxy]stannane?
The InChIKey is GIJUYCMHAPULHS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H18O.2C4H9.Sn/c2*1-4-9-12(2,3)10-7-5-6-8-11(10)13;2*1-3-4-2;/h2*5-8,13H,4,9H2,1-3H3;2*1,3-4H2,2H3;/q;;;;+2/p-2.
What are the key properties of dibutyl-bis[2-(2-methylpentan-2-yl)phenoxy]stannane?
dibutyl-bis[2-(2-methylpentan-2-yl)phenoxy]stannane has a molecular weight of 587.48 g/mol, XLogP of 10.34, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-bis[2-(2-methylpentan-2-yl)phenoxy]stannane is sourced from PubChem (CID 67502104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).