[hexadecanoyloxy(diphenyl)stannyl] hexadecanoate

C44H72O4Sn — CID 140944870

IUPAC[hexadecanoyloxy(diphenyl)stannyl] hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)O[Sn](OC(=O)CCCCCCCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C16H32O2.2C6H5.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;2*1-2-4-6-5-3-1;/h2*2-15H2,1H3,(H,17,18);2*1-5H;/q;;;;+2/p-2
InChIKeyFDUBIPVVGIRFLE-UHFFFAOYSA-L
MW783.77 g/mol
LogP12.29
Rot. Bonds32

About [hexadecanoyloxy(diphenyl)stannyl] hexadecanoate

[hexadecanoyloxy(diphenyl)stannyl] hexadecanoate (PubChem CID 140944870) has the molecular formula C44H72O4Sn and a molecular weight of 783.77 g/mol. Its IUPAC name is [hexadecanoyloxy(diphenyl)stannyl] hexadecanoate.

Molecular Properties

Compound Name[hexadecanoyloxy(diphenyl)stannyl] hexadecanoate
PubChem CID140944870
Molecular FormulaC44H72O4Sn
Molecular Weight783.77 g/mol
Exact Mass784.45
IUPAC Name[hexadecanoyloxy(diphenyl)stannyl] hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)O[Sn](OC(=O)CCCCCCCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C16H32O2.2C6H5.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;2*1-2-4-6-5-3-1;/h2*2-15H2,1H3,(H,17,18);2*1-5H;/q;;;;+2/p-2
InChIKeyFDUBIPVVGIRFLE-UHFFFAOYSA-L
XLogP12.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds32
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.77
LogP ≤ 512.29
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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Related Compounds

phenyl hexapentacontanoate
CID 139682998
phenyl hexacosanoate
CID 23321598
phenyl tridecanoate
CID 54389784
phenyl dopentacontanoate
CID 139682818
phenyl triacontanoate
CID 54018873
alumane;phenyl octadecanoate
CID 173442753
mercury;phenyl octadecanoate
CID 158061503
1,1'-biphenyl;methyl tetradecanoate
CID 175273282
(2-nonanoyloxyphenyl) undecanoate
CID 90023956
octanoyl benzoate
CID 15556056
hexadecanoyl benzoate
CID 57040691
benzyl heptadecanoate
CID 522569

Frequently Asked Questions

What is the IUPAC name of [hexadecanoyloxy(diphenyl)stannyl] hexadecanoate?
The IUPAC name of [hexadecanoyloxy(diphenyl)stannyl] hexadecanoate (CID 140944870) is [hexadecanoyloxy(diphenyl)stannyl] hexadecanoate.
What is the SMILES notation for [hexadecanoyloxy(diphenyl)stannyl] hexadecanoate?
The canonical SMILES for [hexadecanoyloxy(diphenyl)stannyl] hexadecanoate is CCCCCCCCCCCCCCCC(=O)O[Sn](OC(=O)CCCCCCCCCCCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of [hexadecanoyloxy(diphenyl)stannyl] hexadecanoate?
The InChIKey is FDUBIPVVGIRFLE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H32O2.2C6H5.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;2*1-2-4-6-5-3-1;/h2*2-15H2,1H3,(H,17,18);2*1-5H;/q;;;;+2/p-2.
What are the key properties of [hexadecanoyloxy(diphenyl)stannyl] hexadecanoate?
[hexadecanoyloxy(diphenyl)stannyl] hexadecanoate has a molecular weight of 783.77 g/mol, XLogP of 12.29, 32 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [hexadecanoyloxy(diphenyl)stannyl] hexadecanoate is sourced from PubChem (CID 140944870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).