dibutyl-[dibutyl-(4-nitrophenoxy)stannyl]oxy-(4-nitrophenoxy)stannane

C28H44N2O7Sn2 — CID 71371987

IUPACdibutyl-[dibutyl-(4-nitrophenoxy)stannyl]oxy-(4-nitrophenoxy)stannane
SMILESCCCC[Sn](CCCC)(Oc1ccc([N+](=O)[O-])cc1)O[Sn](CCCC)(CCCC)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/2C6H5NO3.4C4H9.O.2Sn/c2*8-6-3-1-5(2-4-6)7(9)10;4*1-3-4-2;;;/h2*1-4,8H;4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKeyVONGLPUPEWLOOP-UHFFFAOYSA-L
MW758.09 g/mol
LogP9.06
Rot. Bonds20

About dibutyl-[dibutyl-(4-nitrophenoxy)stannyl]oxy-(4-nitrophenoxy)stannane

dibutyl-[dibutyl-(4-nitrophenoxy)stannyl]oxy-(4-nitrophenoxy)stannane (PubChem CID 71371987) has the molecular formula C28H44N2O7Sn2 and a molecular weight of 758.09 g/mol. Its IUPAC name is dibutyl-[dibutyl-(4-nitrophenoxy)stannyl]oxy-(4-nitrophenoxy)stannane.

Molecular Properties

Compound Namedibutyl-[dibutyl-(4-nitrophenoxy)stannyl]oxy-(4-nitrophenoxy)stannane
PubChem CID71371987
Molecular FormulaC28H44N2O7Sn2
Molecular Weight758.09 g/mol
Exact Mass760.12
IUPAC Namedibutyl-[dibutyl-(4-nitrophenoxy)stannyl]oxy-(4-nitrophenoxy)stannane
SMILESCCCC[Sn](CCCC)(Oc1ccc([N+](=O)[O-])cc1)O[Sn](CCCC)(CCCC)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/2C6H5NO3.4C4H9.O.2Sn/c2*8-6-3-1-5(2-4-6)7(9)10;4*1-3-4-2;;;/h2*1-4,8H;4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKeyVONGLPUPEWLOOP-UHFFFAOYSA-L
XLogP9.06
TPSA113.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.09
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-nitro-4-octadecoxybenzene
CID 4258205
1-nitro-4-(4-pentoxyphenyl)benzene
CID 4261688
N-butyl-N-[(dibutylamino)-(4-nitrophenoxy)phosphoryl]butan-1-amine
CID 24887656
1-[butyl(propoxy)phosphoryl]oxy-4-nitrobenzene
CID 91735345
didecyl (4-nitrophenyl) phosphate
CID 71347067
1-(1-chloropentoxy)-4-nitrobenzene
CID 175239946
1-nitro-4-[1-(4-octoxyphenyl)ethenyl]benzene
CID 19835485
formic acid;1-hexoxy-4-nitrobenzene
CID 171658812
(4-nitrophenyl) hexacosanoate
CID 10907416
butyl 4-nitrobenzenesulfinate
CID 86164015
diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;zinc
CID 135125865
3-methyl-1-(4-nitrophenyl)-2-(tributylstannylmethyl)but-2-en-1-one
CID 11272149

Frequently Asked Questions

What is the IUPAC name of dibutyl-[dibutyl-(4-nitrophenoxy)stannyl]oxy-(4-nitrophenoxy)stannane?
The IUPAC name of dibutyl-[dibutyl-(4-nitrophenoxy)stannyl]oxy-(4-nitrophenoxy)stannane (CID 71371987) is dibutyl-[dibutyl-(4-nitrophenoxy)stannyl]oxy-(4-nitrophenoxy)stannane.
What is the SMILES notation for dibutyl-[dibutyl-(4-nitrophenoxy)stannyl]oxy-(4-nitrophenoxy)stannane?
The canonical SMILES for dibutyl-[dibutyl-(4-nitrophenoxy)stannyl]oxy-(4-nitrophenoxy)stannane is CCCC[Sn](CCCC)(Oc1ccc([N+](=O)[O-])cc1)O[Sn](CCCC)(CCCC)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of dibutyl-[dibutyl-(4-nitrophenoxy)stannyl]oxy-(4-nitrophenoxy)stannane?
The InChIKey is VONGLPUPEWLOOP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H5NO3.4C4H9.O.2Sn/c2*8-6-3-1-5(2-4-6)7(9)10;4*1-3-4-2;;;/h2*1-4,8H;4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2.
What are the key properties of dibutyl-[dibutyl-(4-nitrophenoxy)stannyl]oxy-(4-nitrophenoxy)stannane?
dibutyl-[dibutyl-(4-nitrophenoxy)stannyl]oxy-(4-nitrophenoxy)stannane has a molecular weight of 758.09 g/mol, XLogP of 9.06, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-[dibutyl-(4-nitrophenoxy)stannyl]oxy-(4-nitrophenoxy)stannane is sourced from PubChem (CID 71371987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).