(E)-2-methylsulfonyl-5-tributylstannylpent-4-enoic acid

C18H36O4SSn — CID 22174466

IUPAC(E)-2-methylsulfonyl-5-tributylstannylpent-4-enoic acid
SMILESCCCC[Sn](/C=C/CC(C(=O)O)S(C)(=O)=O)(CCCC)CCCC
InChIInChI=1S/C6H9O4S.3C4H9.Sn/c1-3-4-5(6(7)8)11(2,9)10;3*1-3-4-2;/h1,3,5H,4H2,2H3,(H,7,8);3*1,3-4H2,2H3;
InChIKeyLRMMDUDGBRCVRB-UHFFFAOYSA-N
MW467.26 g/mol
LogP4.82
Rot. Bonds14

About (E)-2-methylsulfonyl-5-tributylstannylpent-4-enoic acid

(E)-2-methylsulfonyl-5-tributylstannylpent-4-enoic acid (PubChem CID 22174466) has the molecular formula C18H36O4SSn and a molecular weight of 467.26 g/mol. Its IUPAC name is (E)-2-methylsulfonyl-5-tributylstannylpent-4-enoic acid.

Molecular Properties

Compound Name(E)-2-methylsulfonyl-5-tributylstannylpent-4-enoic acid
PubChem CID22174466
Molecular FormulaC18H36O4SSn
Molecular Weight467.26 g/mol
Exact Mass468.14
IUPAC Name(E)-2-methylsulfonyl-5-tributylstannylpent-4-enoic acid
SMILESCCCC[Sn](/C=C/CC(C(=O)O)S(C)(=O)=O)(CCCC)CCCC
InChIInChI=1S/C6H9O4S.3C4H9.Sn/c1-3-4-5(6(7)8)11(2,9)10;3*1-3-4-2;/h1,3,5H,4H2,2H3,(H,7,8);3*1,3-4H2,2H3;
InChIKeyLRMMDUDGBRCVRB-UHFFFAOYSA-N
XLogP4.82
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.26
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methylsulfonyl-5-tributylstannylpent-4-enoic acid?
The IUPAC name of (E)-2-methylsulfonyl-5-tributylstannylpent-4-enoic acid (CID 22174466) is (E)-2-methylsulfonyl-5-tributylstannylpent-4-enoic acid.
What is the SMILES notation for (E)-2-methylsulfonyl-5-tributylstannylpent-4-enoic acid?
The canonical SMILES for (E)-2-methylsulfonyl-5-tributylstannylpent-4-enoic acid is CCCC[Sn](/C=C/CC(C(=O)O)S(C)(=O)=O)(CCCC)CCCC.
What is the InChIKey of (E)-2-methylsulfonyl-5-tributylstannylpent-4-enoic acid?
The InChIKey is LRMMDUDGBRCVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O4S.3C4H9.Sn/c1-3-4-5(6(7)8)11(2,9)10;3*1-3-4-2;/h1,3,5H,4H2,2H3,(H,7,8);3*1,3-4H2,2H3;.
What are the key properties of (E)-2-methylsulfonyl-5-tributylstannylpent-4-enoic acid?
(E)-2-methylsulfonyl-5-tributylstannylpent-4-enoic acid has a molecular weight of 467.26 g/mol, XLogP of 4.82, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methylsulfonyl-5-tributylstannylpent-4-enoic acid is sourced from PubChem (CID 22174466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).