trimethylstannyl octadecanoate

C21H44O2Sn — CID 16685791

IUPACtrimethylstannyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)O[Sn](C)(C)C
InChIInChI=1S/C18H36O2.3CH3.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;/h2-17H2,1H3,(H,19,20);3*1H3;/q;;;;+1/p-1
InChIKeyKSSLANFKOVMCHD-UHFFFAOYSA-M
MW447.29 g/mol
LogP7.63
Rot. Bonds17

About trimethylstannyl octadecanoate

trimethylstannyl octadecanoate (PubChem CID 16685791) has the molecular formula C21H44O2Sn and a molecular weight of 447.29 g/mol. Its IUPAC name is trimethylstannyl octadecanoate.

Molecular Properties

Compound Nametrimethylstannyl octadecanoate
PubChem CID16685791
Molecular FormulaC21H44O2Sn
Molecular Weight447.29 g/mol
Exact Mass448.24
IUPAC Nametrimethylstannyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)O[Sn](C)(C)C
InChIInChI=1S/C18H36O2.3CH3.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;/h2-17H2,1H3,(H,19,20);3*1H3;/q;;;;+1/p-1
InChIKeyKSSLANFKOVMCHD-UHFFFAOYSA-M
XLogP7.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.29
LogP ≤ 57.63
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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Related Compounds

[di(heptanoyloxy)-methylstannyl] heptanoate
CID 139676625
[diethyl(tetradecanoyloxy)stannyl] tetradecanoate
CID 140944868
tributylstannyl dodecanoate
CID 16683295
tributylstannyl octanoate
CID 16683987
[di(dodecanoyloxy)-hexylstannyl] dodecanoate
CID 141110881
[dodecanoyloxy(dihexyl)stannyl] dodecanoate
CID 16685116
[dodecanoyloxy(didodecyl)stannyl] dodecanoate
CID 16684517
pentadecanoyl hexadecanoate
CID 87499774
heptadecanoyl heptadecaneperoxoate
CID 53438513
henicosanoyl docosanoate
CID 175302110
ditetradecanoyl hexanedioate
CID 175560209
heptanoyl octaneperoxoate
CID 142686679

Frequently Asked Questions

What is the IUPAC name of trimethylstannyl octadecanoate?
The IUPAC name of trimethylstannyl octadecanoate (CID 16685791) is trimethylstannyl octadecanoate.
What is the SMILES notation for trimethylstannyl octadecanoate?
The canonical SMILES for trimethylstannyl octadecanoate is CCCCCCCCCCCCCCCCCC(=O)O[Sn](C)(C)C.
What is the InChIKey of trimethylstannyl octadecanoate?
The InChIKey is KSSLANFKOVMCHD-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H36O2.3CH3.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;/h2-17H2,1H3,(H,19,20);3*1H3;/q;;;;+1/p-1.
What are the key properties of trimethylstannyl octadecanoate?
trimethylstannyl octadecanoate has a molecular weight of 447.29 g/mol, XLogP of 7.63, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylstannyl octadecanoate is sourced from PubChem (CID 16685791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).