(Z)-4-oxo-4-tributylstannyloxybut-2-enoic acid

C16H30O4Sn — CID 16695701

IUPAC(Z)-4-oxo-4-tributylstannyloxybut-2-enoic acid
SMILESCCCC[Sn](CCCC)(CCCC)OC(=O)/C=C\C(=O)O
InChIInChI=1S/C4H4O4.3C4H9.Sn/c5-3(6)1-2-4(7)8;3*1-3-4-2;/h1-2H,(H,5,6)(H,7,8);3*1,3-4H2,2H3;/q;;;;+1/p-1/b2-1-;;;;
InChIKeyOWPROSQENMJLFR-SQDRRJMKSA-M
MW405.12 g/mol
LogP4.52
Rot. Bonds12

About (Z)-4-oxo-4-tributylstannyloxybut-2-enoic acid

(Z)-4-oxo-4-tributylstannyloxybut-2-enoic acid (PubChem CID 16695701) has the molecular formula C16H30O4Sn and a molecular weight of 405.12 g/mol. Its IUPAC name is (Z)-4-oxo-4-tributylstannyloxybut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-oxo-4-tributylstannyloxybut-2-enoic acid
PubChem CID16695701
Molecular FormulaC16H30O4Sn
Molecular Weight405.12 g/mol
Exact Mass406.12
IUPAC Name(Z)-4-oxo-4-tributylstannyloxybut-2-enoic acid
SMILESCCCC[Sn](CCCC)(CCCC)OC(=O)/C=C\C(=O)O
InChIInChI=1S/C4H4O4.3C4H9.Sn/c5-3(6)1-2-4(7)8;3*1-3-4-2;/h1-2H,(H,5,6)(H,7,8);3*1,3-4H2,2H3;/q;;;;+1/p-1/b2-1-;;;;
InChIKeyOWPROSQENMJLFR-SQDRRJMKSA-M
XLogP4.52
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.12
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(tributylstannyl) (Z)-but-2-enedioate
CID 16682777
1-O-butyl 4-O-tributylstannyl but-2-enedioate
CID 16684816
1-O-(2-acetyloxyethyl) 4-O-tributylstannyl (Z)-but-2-enedioate
CID 88759898
tributylstannyl (E)-3-phenylprop-2-enoate
CID 16687405
(Z)-4-butoxy-4-oxobut-2-enoic acid
CID 175730618
(Z)-but-2-enedioic acid;dibutyl(dichloro)stannane
CID 162328803
4-O-[dibutyl-(4-oxo-4-propoxybut-2-enoyl)oxystannyl] 1-O-propyl but-2-enedioate
CID 73307682
trihexylstannyl prop-2-enoate
CID 71366207
but-2-enedioic acid;undecane
CID 157202832
(Z)-but-2-enedioic acid;dihexyl (Z)-but-2-enedioate
CID 162327532
butan-1-ol;(Z)-4-[(Z)-3-carboxyprop-2-enoyl]oxy-4-oxobut-2-enoic acid
CID 88769122
1-O-decyl 4-O-[dibutyl-(4-decoxy-4-oxobut-2-enoyl)oxystannyl] but-2-enedioate
CID 53436364

Frequently Asked Questions

What is the IUPAC name of (Z)-4-oxo-4-tributylstannyloxybut-2-enoic acid?
The IUPAC name of (Z)-4-oxo-4-tributylstannyloxybut-2-enoic acid (CID 16695701) is (Z)-4-oxo-4-tributylstannyloxybut-2-enoic acid.
What is the SMILES notation for (Z)-4-oxo-4-tributylstannyloxybut-2-enoic acid?
The canonical SMILES for (Z)-4-oxo-4-tributylstannyloxybut-2-enoic acid is CCCC[Sn](CCCC)(CCCC)OC(=O)/C=C\C(=O)O.
What is the InChIKey of (Z)-4-oxo-4-tributylstannyloxybut-2-enoic acid?
The InChIKey is OWPROSQENMJLFR-SQDRRJMKSA-M. The full InChI is InChI=1S/C4H4O4.3C4H9.Sn/c5-3(6)1-2-4(7)8;3*1-3-4-2;/h1-2H,(H,5,6)(H,7,8);3*1,3-4H2,2H3;/q;;;;+1/p-1/b2-1-;;;;.
What are the key properties of (Z)-4-oxo-4-tributylstannyloxybut-2-enoic acid?
(Z)-4-oxo-4-tributylstannyloxybut-2-enoic acid has a molecular weight of 405.12 g/mol, XLogP of 4.52, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-oxo-4-tributylstannyloxybut-2-enoic acid is sourced from PubChem (CID 16695701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).