[butyl(diethyl)stannyl] 2-methylprop-2-enoate

C12H24O2Sn — CID 173373063

IUPAC[butyl(diethyl)stannyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[Sn](CC)(CC)CCCC
InChIInChI=1S/C4H6O2.C4H9.2C2H5.Sn/c1-3(2)4(5)6;1-3-4-2;2*1-2;/h1H2,2H3,(H,5,6);1,3-4H2,2H3;2*1H2,2H3;/q;;;;+1/p-1
InChIKeyZGDZLFHJZBHIQP-UHFFFAOYSA-M
MW319.03 g/mol
LogP3.89
Rot. Bonds7

About [butyl(diethyl)stannyl] 2-methylprop-2-enoate

[butyl(diethyl)stannyl] 2-methylprop-2-enoate (PubChem CID 173373063) has the molecular formula C12H24O2Sn and a molecular weight of 319.03 g/mol. Its IUPAC name is [butyl(diethyl)stannyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[butyl(diethyl)stannyl] 2-methylprop-2-enoate
PubChem CID173373063
Molecular FormulaC12H24O2Sn
Molecular Weight319.03 g/mol
Exact Mass320.08
IUPAC Name[butyl(diethyl)stannyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[Sn](CC)(CC)CCCC
InChIInChI=1S/C4H6O2.C4H9.2C2H5.Sn/c1-3(2)4(5)6;1-3-4-2;2*1-2;/h1H2,2H3,(H,5,6);1,3-4H2,2H3;2*1H2,2H3;/q;;;;+1/p-1
InChIKeyZGDZLFHJZBHIQP-UHFFFAOYSA-M
XLogP3.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.03
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[dodecyl-bis(2-methylprop-2-enoyloxy)stannyl] 2-methylprop-2-enoate
CID 139683682
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
butyl 2-methylprop-2-enoate;methane
CID 159646333
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
butyl 2-methylprop-2-enoate;ethene
CID 158758814
bis(tributylstannyl) (Z)-but-2-enedioate
CID 16682777
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
[dibutyl(2-methylprop-2-enoyloxy)silyl] 2-methylprop-2-enoate
CID 153439669
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
triethylstannyl acetate
CID 16682966

Frequently Asked Questions

What is the IUPAC name of [butyl(diethyl)stannyl] 2-methylprop-2-enoate?
The IUPAC name of [butyl(diethyl)stannyl] 2-methylprop-2-enoate (CID 173373063) is [butyl(diethyl)stannyl] 2-methylprop-2-enoate.
What is the SMILES notation for [butyl(diethyl)stannyl] 2-methylprop-2-enoate?
The canonical SMILES for [butyl(diethyl)stannyl] 2-methylprop-2-enoate is C=C(C)C(=O)O[Sn](CC)(CC)CCCC.
What is the InChIKey of [butyl(diethyl)stannyl] 2-methylprop-2-enoate?
The InChIKey is ZGDZLFHJZBHIQP-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O2.C4H9.2C2H5.Sn/c1-3(2)4(5)6;1-3-4-2;2*1-2;/h1H2,2H3,(H,5,6);1,3-4H2,2H3;2*1H2,2H3;/q;;;;+1/p-1.
What are the key properties of [butyl(diethyl)stannyl] 2-methylprop-2-enoate?
[butyl(diethyl)stannyl] 2-methylprop-2-enoate has a molecular weight of 319.03 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl(diethyl)stannyl] 2-methylprop-2-enoate is sourced from PubChem (CID 173373063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).