(E)-4-tributylstannylbut-3-enoic acid

C16H32O2Sn — CID 11767530

IUPAC(E)-4-tributylstannylbut-3-enoic acid
SMILESCCCC[Sn](/C=C/CC(=O)O)(CCCC)CCCC
InChIInChI=1S/C4H5O2.3C4H9.Sn/c1-2-3-4(5)6;3*1-3-4-2;/h1-2H,3H2,(H,5,6);3*1,3-4H2,2H3;
InChIKeyCCHBWKSJWVRRGD-UHFFFAOYSA-N
MW375.14 g/mol
LogP5.41
Rot. Bonds12

About (E)-4-tributylstannylbut-3-enoic acid

(E)-4-tributylstannylbut-3-enoic acid (PubChem CID 11767530) has the molecular formula C16H32O2Sn and a molecular weight of 375.14 g/mol. Its IUPAC name is (E)-4-tributylstannylbut-3-enoic acid.

Molecular Properties

Compound Name(E)-4-tributylstannylbut-3-enoic acid
PubChem CID11767530
Molecular FormulaC16H32O2Sn
Molecular Weight375.14 g/mol
Exact Mass376.14
IUPAC Name(E)-4-tributylstannylbut-3-enoic acid
SMILESCCCC[Sn](/C=C/CC(=O)O)(CCCC)CCCC
InChIInChI=1S/C4H5O2.3C4H9.Sn/c1-2-3-4(5)6;3*1-3-4-2;/h1-2H,3H2,(H,5,6);3*1,3-4H2,2H3;
InChIKeyCCHBWKSJWVRRGD-UHFFFAOYSA-N
XLogP5.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.14
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

tributyl-[(1E)-4-methylpenta-1,4-dienyl]stannane
CID 11257245
2,5-bis(tributylstannyl)pent-4-enoic acid
CID 173392847
(E)-3-tributylstannylprop-2-en-1-amine
CID 45040600
dimethyl 2-[(E)-3-tributylstannylprop-2-enyl]propanedioate
CID 177384195
(2Z,4E)-3-methyl-5-tributylstannylpenta-2,4-dienoic acid
CID 11050736
(E)-N,N-dimethyl-3-tributylstannylprop-2-enamide
CID 19785799
deca-3,5-dienoic acid
CID 54113782
(3E,6E,14E)-icosa-3,6,14-trienoic acid
CID 166679745
(3Z,6Z)-hexadeca-3,6-dienoic acid
CID 87941729
(3E,11E,14E)-icosa-3,11,14-trienoic acid
CID 23220132
(4S)-4-methyl-1-tributylstannyloct-1-en-4-ol
CID 173361577
(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-ol
CID 14248080

Frequently Asked Questions

What is the IUPAC name of (E)-4-tributylstannylbut-3-enoic acid?
The IUPAC name of (E)-4-tributylstannylbut-3-enoic acid (CID 11767530) is (E)-4-tributylstannylbut-3-enoic acid.
What is the SMILES notation for (E)-4-tributylstannylbut-3-enoic acid?
The canonical SMILES for (E)-4-tributylstannylbut-3-enoic acid is CCCC[Sn](/C=C/CC(=O)O)(CCCC)CCCC.
What is the InChIKey of (E)-4-tributylstannylbut-3-enoic acid?
The InChIKey is CCHBWKSJWVRRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5O2.3C4H9.Sn/c1-2-3-4(5)6;3*1-3-4-2;/h1-2H,3H2,(H,5,6);3*1,3-4H2,2H3;.
What are the key properties of (E)-4-tributylstannylbut-3-enoic acid?
(E)-4-tributylstannylbut-3-enoic acid has a molecular weight of 375.14 g/mol, XLogP of 5.41, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-tributylstannylbut-3-enoic acid is sourced from PubChem (CID 11767530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).