tributylstannyl octadecanoate

C30H62O2Sn — CID 16683280

IUPACtributylstannyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C18H36O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*1-3-4-2;/h2-17H2,1H3,(H,19,20);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyGQZXITZWLBSSOI-UHFFFAOYSA-M
MW573.54 g/mol
LogP11.14
Rot. Bonds26

About tributylstannyl octadecanoate

tributylstannyl octadecanoate (PubChem CID 16683280) has the molecular formula C30H62O2Sn and a molecular weight of 573.54 g/mol. Its IUPAC name is tributylstannyl octadecanoate.

Molecular Properties

Compound Nametributylstannyl octadecanoate
PubChem CID16683280
Molecular FormulaC30H62O2Sn
Molecular Weight573.54 g/mol
Exact Mass574.38
IUPAC Nametributylstannyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C18H36O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*1-3-4-2;/h2-17H2,1H3,(H,19,20);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyGQZXITZWLBSSOI-UHFFFAOYSA-M
XLogP11.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.54
LogP ≤ 511.14
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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Frequently Asked Questions

What is the IUPAC name of tributylstannyl octadecanoate?
The IUPAC name of tributylstannyl octadecanoate (CID 16683280) is tributylstannyl octadecanoate.
What is the SMILES notation for tributylstannyl octadecanoate?
The canonical SMILES for tributylstannyl octadecanoate is CCCCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributylstannyl octadecanoate?
The InChIKey is GQZXITZWLBSSOI-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H36O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*1-3-4-2;/h2-17H2,1H3,(H,19,20);3*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of tributylstannyl octadecanoate?
tributylstannyl octadecanoate has a molecular weight of 573.54 g/mol, XLogP of 11.14, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributylstannyl octadecanoate is sourced from PubChem (CID 16683280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).