dibutyl(dodecyl)stannane;2-methylprop-2-enoic acid

C24H50O2Sn — CID 175147541

IUPACdibutyl(dodecyl)stannane;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCCCCCCCCCCC[SnH](CCCC)CCCC
InChIInChI=1S/C12H25.C4H6O2.2C4H9.Sn.H/c1-3-5-7-9-11-12-10-8-6-4-2;1-3(2)4(5)6;2*1-3-4-2;;/h1,3-12H2,2H3;1H2,2H3,(H,5,6);2*1,3-4H2,2H3;;
InChIKeyQOXGZGVKZIIMFF-UHFFFAOYSA-N
MW489.37 g/mol
LogP8.38
Rot. Bonds18

About dibutyl(dodecyl)stannane;2-methylprop-2-enoic acid

dibutyl(dodecyl)stannane;2-methylprop-2-enoic acid (PubChem CID 175147541) has the molecular formula C24H50O2Sn and a molecular weight of 489.37 g/mol. Its IUPAC name is dibutyl(dodecyl)stannane;2-methylprop-2-enoic acid.

Molecular Properties

Compound Namedibutyl(dodecyl)stannane;2-methylprop-2-enoic acid
PubChem CID175147541
Molecular FormulaC24H50O2Sn
Molecular Weight489.37 g/mol
Exact Mass490.28
IUPAC Namedibutyl(dodecyl)stannane;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCCCCCCCCCCC[SnH](CCCC)CCCC
InChIInChI=1S/C12H25.C4H6O2.2C4H9.Sn.H/c1-3-5-7-9-11-12-10-8-6-4-2;1-3(2)4(5)6;2*1-3-4-2;;/h1,3-12H2,2H3;1H2,2H3,(H,5,6);2*1,3-4H2,2H3;;
InChIKeyQOXGZGVKZIIMFF-UHFFFAOYSA-N
XLogP8.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.37
LogP ≤ 58.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-2-enoic acid;octacosane
CID 158715869
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);octadecane
CID 173068798
dibutyl(dodecyl)stannane
CID 175017009
2-methylprop-2-enoic acid;octan-1-ol
CID 174681035
decan-1-ol;2-methylprop-2-enoic acid
CID 174640538
bis(2-methylprop-2-enoic acid);octadecanoic acid
CID 158142105
dodecanoic acid;2-methylprop-2-enoic acid;zirconium
CID 88603348
2-methylprop-2-enoic acid;octadecanoic acid;oxotitanium
CID 88668587
bis(2-methylprop-2-enoic acid);nonadecane-1,1-diol
CID 175364016
hexanoic acid;2-methylprop-2-enoic acid;zinc
CID 174858800
2-methylprop-2-enoic acid;octan-2-ol
CID 174649051
magnesium;bis(2-methylprop-2-enoic acid);bis(octadecanoate)
CID 173046343

Frequently Asked Questions

What is the IUPAC name of dibutyl(dodecyl)stannane;2-methylprop-2-enoic acid?
The IUPAC name of dibutyl(dodecyl)stannane;2-methylprop-2-enoic acid (CID 175147541) is dibutyl(dodecyl)stannane;2-methylprop-2-enoic acid.
What is the SMILES notation for dibutyl(dodecyl)stannane;2-methylprop-2-enoic acid?
The canonical SMILES for dibutyl(dodecyl)stannane;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CCCCCCCCCCCC[SnH](CCCC)CCCC.
What is the InChIKey of dibutyl(dodecyl)stannane;2-methylprop-2-enoic acid?
The InChIKey is QOXGZGVKZIIMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25.C4H6O2.2C4H9.Sn.H/c1-3-5-7-9-11-12-10-8-6-4-2;1-3(2)4(5)6;2*1-3-4-2;;/h1,3-12H2,2H3;1H2,2H3,(H,5,6);2*1,3-4H2,2H3;;.
What are the key properties of dibutyl(dodecyl)stannane;2-methylprop-2-enoic acid?
dibutyl(dodecyl)stannane;2-methylprop-2-enoic acid has a molecular weight of 489.37 g/mol, XLogP of 8.38, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(dodecyl)stannane;2-methylprop-2-enoic acid is sourced from PubChem (CID 175147541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).