dioctyl-di(quinolin-8-yloxy)stannane

C34H46N2O2Sn — CID 16683212

IUPACdioctyl-di(quinolin-8-yloxy)stannane
SMILESCCCCCCCC[Sn](CCCCCCCC)(Oc1cccc2cccnc12)Oc1cccc2cccnc12
InChIInChI=1S/2C9H7NO.2C8H17.Sn/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-3-5-7-8-6-4-2;/h2*1-6,11H;2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKeyDCMWINCPWQSJRT-UHFFFAOYSA-L
MW633.47 g/mol
LogP10.40
Rot. Bonds18

About dioctyl-di(quinolin-8-yloxy)stannane

dioctyl-di(quinolin-8-yloxy)stannane (PubChem CID 16683212) has the molecular formula C34H46N2O2Sn and a molecular weight of 633.47 g/mol. Its IUPAC name is dioctyl-di(quinolin-8-yloxy)stannane.

Molecular Properties

Compound Namedioctyl-di(quinolin-8-yloxy)stannane
PubChem CID16683212
Molecular FormulaC34H46N2O2Sn
Molecular Weight633.47 g/mol
Exact Mass634.26
IUPAC Namedioctyl-di(quinolin-8-yloxy)stannane
SMILESCCCCCCCC[Sn](CCCCCCCC)(Oc1cccc2cccnc12)Oc1cccc2cccnc12
InChIInChI=1S/2C9H7NO.2C8H17.Sn/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-3-5-7-8-6-4-2;/h2*1-6,11H;2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKeyDCMWINCPWQSJRT-UHFFFAOYSA-L
XLogP10.40
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.47
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dioctyl-di(quinolin-8-yloxy)stannane?
The IUPAC name of dioctyl-di(quinolin-8-yloxy)stannane (CID 16683212) is dioctyl-di(quinolin-8-yloxy)stannane.
What is the SMILES notation for dioctyl-di(quinolin-8-yloxy)stannane?
The canonical SMILES for dioctyl-di(quinolin-8-yloxy)stannane is CCCCCCCC[Sn](CCCCCCCC)(Oc1cccc2cccnc12)Oc1cccc2cccnc12.
What is the InChIKey of dioctyl-di(quinolin-8-yloxy)stannane?
The InChIKey is DCMWINCPWQSJRT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H7NO.2C8H17.Sn/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-3-5-7-8-6-4-2;/h2*1-6,11H;2*1,3-8H2,2H3;/q;;;;+2/p-2.
What are the key properties of dioctyl-di(quinolin-8-yloxy)stannane?
dioctyl-di(quinolin-8-yloxy)stannane has a molecular weight of 633.47 g/mol, XLogP of 10.40, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dioctyl-di(quinolin-8-yloxy)stannane is sourced from PubChem (CID 16683212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).