tributyl-(4-nitrophenoxy)stannane

C18H31NO3Sn — CID 16684353

IUPACtributyl-(4-nitrophenoxy)stannane
SMILESCCCC[Sn](CCCC)(CCCC)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C6H5NO3.3C4H9.Sn/c8-6-3-1-5(2-4-6)7(9)10;3*1-3-4-2;/h1-4,8H;3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeySWZPSYJFHVBDSY-UHFFFAOYSA-M
MW428.16 g/mol
LogP6.32
Rot. Bonds12

About tributyl-(4-nitrophenoxy)stannane

tributyl-(4-nitrophenoxy)stannane (PubChem CID 16684353) has the molecular formula C18H31NO3Sn and a molecular weight of 428.16 g/mol. Its IUPAC name is tributyl-(4-nitrophenoxy)stannane.

Molecular Properties

Compound Nametributyl-(4-nitrophenoxy)stannane
PubChem CID16684353
Molecular FormulaC18H31NO3Sn
Molecular Weight428.16 g/mol
Exact Mass429.13
IUPAC Nametributyl-(4-nitrophenoxy)stannane
SMILESCCCC[Sn](CCCC)(CCCC)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C6H5NO3.3C4H9.Sn/c8-6-3-1-5(2-4-6)7(9)10;3*1-3-4-2;/h1-4,8H;3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeySWZPSYJFHVBDSY-UHFFFAOYSA-M
XLogP6.32
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.16
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of tributyl-(4-nitrophenoxy)stannane?
The IUPAC name of tributyl-(4-nitrophenoxy)stannane (CID 16684353) is tributyl-(4-nitrophenoxy)stannane.
What is the SMILES notation for tributyl-(4-nitrophenoxy)stannane?
The canonical SMILES for tributyl-(4-nitrophenoxy)stannane is CCCC[Sn](CCCC)(CCCC)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of tributyl-(4-nitrophenoxy)stannane?
The InChIKey is SWZPSYJFHVBDSY-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5NO3.3C4H9.Sn/c8-6-3-1-5(2-4-6)7(9)10;3*1-3-4-2;/h1-4,8H;3*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of tributyl-(4-nitrophenoxy)stannane?
tributyl-(4-nitrophenoxy)stannane has a molecular weight of 428.16 g/mol, XLogP of 6.32, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(4-nitrophenoxy)stannane is sourced from PubChem (CID 16684353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).