(Z)-2-ethyl-3-(5-methylthiophen-2-yl)but-2-enoic acid

C11H14O2S — CID 165441692

IUPAC(Z)-2-ethyl-3-(5-methylthiophen-2-yl)but-2-enoic acid
SMILESCC/C(C(=O)O)=C(\C)c1ccc(C)s1
InChIInChI=1S/C11H14O2S/c1-4-9(11(12)13)8(3)10-6-5-7(2)14-10/h5-6H,4H2,1-3H3,(H,12,13)/b9-8-
InChIKeyKOCNVPNSNGEFBD-HJWRWDBZSA-N
MW210.30 g/mol
LogP3.32
Rot. Bonds3

About (Z)-2-ethyl-3-(5-methylthiophen-2-yl)but-2-enoic acid

(Z)-2-ethyl-3-(5-methylthiophen-2-yl)but-2-enoic acid (PubChem CID 165441692) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is (Z)-2-ethyl-3-(5-methylthiophen-2-yl)but-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-ethyl-3-(5-methylthiophen-2-yl)but-2-enoic acid
PubChem CID165441692
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name(Z)-2-ethyl-3-(5-methylthiophen-2-yl)but-2-enoic acid
SMILESCC/C(C(=O)O)=C(\C)c1ccc(C)s1
InChIInChI=1S/C11H14O2S/c1-4-9(11(12)13)8(3)10-6-5-7(2)14-10/h5-6H,4H2,1-3H3,(H,12,13)/b9-8-
InChIKeyKOCNVPNSNGEFBD-HJWRWDBZSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(5-methylthiophen-2-yl)but-2-enoic acid
CID 79729818
(E)-3-(5-methylthiophen-2-yl)pent-2-enoic acid
CID 83957672
ethyl (Z)-2-methyl-3-(5-methylthiophen-2-yl)but-2-enoate
CID 104503462
(Z)-2-ethyl-1-(5-methylthiophen-2-yl)but-2-en-1-one
CID 103447536
(E)-4-(5-methylthiophen-2-yl)pent-3-enoic acid
CID 83957677
(Z)-2-ethyl-3-(4-methyl-1,3-thiazol-2-yl)but-2-enoic acid
CID 165441170
5-(5-methylthiophen-2-yl)-5-oxopentanoic acid
CID 2760078
6-(5-methylthiophen-2-yl)-6-oxohexanoic acid
CID 43446803
2-bromo-1-(5-methylthiophen-2-yl)butan-1-one
CID 63386434
2-(3-ethoxycyclobutyl)-1-(5-methylthiophen-2-yl)ethanone
CID 103162359
5-methyl-N-(3-oxopentan-2-yl)thiophene-2-carboxamide
CID 64997383
4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one
CID 11819730

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethyl-3-(5-methylthiophen-2-yl)but-2-enoic acid?
The IUPAC name of (Z)-2-ethyl-3-(5-methylthiophen-2-yl)but-2-enoic acid (CID 165441692) is (Z)-2-ethyl-3-(5-methylthiophen-2-yl)but-2-enoic acid.
What is the SMILES notation for (Z)-2-ethyl-3-(5-methylthiophen-2-yl)but-2-enoic acid?
The canonical SMILES for (Z)-2-ethyl-3-(5-methylthiophen-2-yl)but-2-enoic acid is CC/C(C(=O)O)=C(\C)c1ccc(C)s1.
What is the InChIKey of (Z)-2-ethyl-3-(5-methylthiophen-2-yl)but-2-enoic acid?
The InChIKey is KOCNVPNSNGEFBD-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H14O2S/c1-4-9(11(12)13)8(3)10-6-5-7(2)14-10/h5-6H,4H2,1-3H3,(H,12,13)/b9-8-.
What are the key properties of (Z)-2-ethyl-3-(5-methylthiophen-2-yl)but-2-enoic acid?
(Z)-2-ethyl-3-(5-methylthiophen-2-yl)but-2-enoic acid has a molecular weight of 210.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-3-(5-methylthiophen-2-yl)but-2-enoic acid is sourced from PubChem (CID 165441692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).