methyl(trioctadecyl)stannane

C55H114Sn — CID 154048335

IUPACmethyl(trioctadecyl)stannane
SMILESCCCCCCCCCCCCCCCCCC[Sn](C)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/3C18H37.CH3.Sn/c3*1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;;/h3*1,3-18H2,2H3;1H3;
InChIKeyPLIAGDADFPBXFP-UHFFFAOYSA-N
MW894.23 g/mol
LogP21.85
Rot. Bonds51

About methyl(trioctadecyl)stannane

methyl(trioctadecyl)stannane (PubChem CID 154048335) has the molecular formula C55H114Sn and a molecular weight of 894.23 g/mol. Its IUPAC name is methyl(trioctadecyl)stannane.

Molecular Properties

Compound Namemethyl(trioctadecyl)stannane
PubChem CID154048335
Molecular FormulaC55H114Sn
Molecular Weight894.23 g/mol
Exact Mass894.79
IUPAC Namemethyl(trioctadecyl)stannane
SMILESCCCCCCCCCCCCCCCCCC[Sn](C)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/3C18H37.CH3.Sn/c3*1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;;/h3*1,3-18H2,2H3;1H3;
InChIKeyPLIAGDADFPBXFP-UHFFFAOYSA-N
XLogP21.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds51
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.23
LogP ≤ 521.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl(octadecyl)stannane
CID 154056481
dihexyl(dimethyl)stannane
CID 86221007
diheptyl(dioctyl)stannane
CID 152736724
sodium;hydride;tridecane
CID 172995973
sodium;octakis(decane);hydride
CID 173398930
tributyl(hexadecyl)stannane
CID 174658060
henoctacontane
CID 22086342
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250
dodecane;pentadecane
CID 162065772
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036

Frequently Asked Questions

What is the IUPAC name of methyl(trioctadecyl)stannane?
The IUPAC name of methyl(trioctadecyl)stannane (CID 154048335) is methyl(trioctadecyl)stannane.
What is the SMILES notation for methyl(trioctadecyl)stannane?
The canonical SMILES for methyl(trioctadecyl)stannane is CCCCCCCCCCCCCCCCCC[Sn](C)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.
What is the InChIKey of methyl(trioctadecyl)stannane?
The InChIKey is PLIAGDADFPBXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H37.CH3.Sn/c3*1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;;/h3*1,3-18H2,2H3;1H3;.
What are the key properties of methyl(trioctadecyl)stannane?
methyl(trioctadecyl)stannane has a molecular weight of 894.23 g/mol, XLogP of 21.85, 51 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(trioctadecyl)stannane is sourced from PubChem (CID 154048335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).