didodecyltin;dihydrate

C24H54O2Sn — CID 87238842

IUPACdidodecyltin;dihydrate
SMILESCCCCCCCCCCCC[Sn]CCCCCCCCCCCC.O.O
InChIInChI=1S/2C12H25.2H2O.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;;;/h2*1,3-12H2,2H3;2*1H2;
InChIKeyGKYKHEKLLISAIT-UHFFFAOYSA-N
MW493.41 g/mol
LogP7.72
Rot. Bonds22

About didodecyltin;dihydrate

didodecyltin;dihydrate (PubChem CID 87238842) has the molecular formula C24H54O2Sn and a molecular weight of 493.41 g/mol. Its IUPAC name is didodecyltin;dihydrate.

Molecular Properties

Compound Namedidodecyltin;dihydrate
PubChem CID87238842
Molecular FormulaC24H54O2Sn
Molecular Weight493.41 g/mol
Exact Mass494.31
IUPAC Namedidodecyltin;dihydrate
SMILESCCCCCCCCCCCC[Sn]CCCCCCCCCCCC.O.O
InChIInChI=1S/2C12H25.2H2O.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;;;/h2*1,3-12H2,2H3;2*1H2;
InChIKeyGKYKHEKLLISAIT-UHFFFAOYSA-N
XLogP7.72
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.41
LogP ≤ 57.72
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

boric acid;di(nonyl)tin
CID 174438027
dibutyltin
CID 6484
chloroethene;dioctyltin
CID 158196482
didodecyltin;1-octadecoxyoctadecane
CID 160837697
aminomethyl(hexyl)tin
CID 174792659
dibutyltin;methane
CID 158142869
dibutyltin;λ2-stannane
CID 174939385
dibutyltin;silane
CID 163880557
heptane;hydrate
CID 57468513
dibutyltin;1-heptoxyheptane
CID 87183821
calcium;hydride;octane
CID 173403164
heptahectane
CID 123338944

Frequently Asked Questions

What is the IUPAC name of didodecyltin;dihydrate?
The IUPAC name of didodecyltin;dihydrate (CID 87238842) is didodecyltin;dihydrate.
What is the SMILES notation for didodecyltin;dihydrate?
The canonical SMILES for didodecyltin;dihydrate is CCCCCCCCCCCC[Sn]CCCCCCCCCCCC.O.O.
What is the InChIKey of didodecyltin;dihydrate?
The InChIKey is GKYKHEKLLISAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H25.2H2O.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;;;/h2*1,3-12H2,2H3;2*1H2;.
What are the key properties of didodecyltin;dihydrate?
didodecyltin;dihydrate has a molecular weight of 493.41 g/mol, XLogP of 7.72, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for didodecyltin;dihydrate is sourced from PubChem (CID 87238842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).