ethyl 2-hydroxy-2-[1-(5-methylthiophen-2-yl)ethyl]pentanoate

C14H22O3S — CID 83051484

IUPACethyl 2-hydroxy-2-[1-(5-methylthiophen-2-yl)ethyl]pentanoate
SMILESCCCC(O)(C(=O)OCC)C(C)c1ccc(C)s1
InChIInChI=1S/C14H22O3S/c1-5-9-14(16,13(15)17-6-2)11(4)12-8-7-10(3)18-12/h7-8,11,16H,5-6,9H2,1-4H3
InChIKeyUFDXTLULRZRLOY-UHFFFAOYSA-N
MW270.39 g/mol
LogP3.25
Rot. Bonds6

About ethyl 2-hydroxy-2-[1-(5-methylthiophen-2-yl)ethyl]pentanoate

ethyl 2-hydroxy-2-[1-(5-methylthiophen-2-yl)ethyl]pentanoate (PubChem CID 83051484) has the molecular formula C14H22O3S and a molecular weight of 270.39 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-[1-(5-methylthiophen-2-yl)ethyl]pentanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-[1-(5-methylthiophen-2-yl)ethyl]pentanoate
PubChem CID83051484
Molecular FormulaC14H22O3S
Molecular Weight270.39 g/mol
Exact Mass270.13
IUPAC Nameethyl 2-hydroxy-2-[1-(5-methylthiophen-2-yl)ethyl]pentanoate
SMILESCCCC(O)(C(=O)OCC)C(C)c1ccc(C)s1
InChIInChI=1S/C14H22O3S/c1-5-9-14(16,13(15)17-6-2)11(4)12-8-7-10(3)18-12/h7-8,11,16H,5-6,9H2,1-4H3
InChIKeyUFDXTLULRZRLOY-UHFFFAOYSA-N
XLogP3.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[1-(3,4-dimethylphenyl)ethyl]-2-hydroxypentanoate
CID 83050862
ethyl 2-hydroxy-2-[1-(2-methoxy-5-methylphenyl)ethyl]pentanoate
CID 83052460
ethyl 2-hydroxy-4-methyl-3-phenyl-2-propylpentanoate
CID 83051907
ethyl 2-[1-(5-methylthiophen-2-yl)ethylamino]butanoate
CID 64668783
ethyl 2-[hydroxy-(5-methylthiophen-2-yl)methyl]prop-2-enoate
CID 43186312
ethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate
CID 79298581
ethyl 2-ethyl-2-hydroxy-3-(4-propoxyphenyl)butanoate
CID 79303862
3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 64676730
ethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate
CID 61345599
ethyl 2-ethyl-2-hydroxy-3-methylpentanoate
CID 79298792
2-(1-ethoxyethyl)-5-methylthiophene
CID 134421689
ethyl 3-(3,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate
CID 79299548

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-[1-(5-methylthiophen-2-yl)ethyl]pentanoate?
The IUPAC name of ethyl 2-hydroxy-2-[1-(5-methylthiophen-2-yl)ethyl]pentanoate (CID 83051484) is ethyl 2-hydroxy-2-[1-(5-methylthiophen-2-yl)ethyl]pentanoate.
What is the SMILES notation for ethyl 2-hydroxy-2-[1-(5-methylthiophen-2-yl)ethyl]pentanoate?
The canonical SMILES for ethyl 2-hydroxy-2-[1-(5-methylthiophen-2-yl)ethyl]pentanoate is CCCC(O)(C(=O)OCC)C(C)c1ccc(C)s1.
What is the InChIKey of ethyl 2-hydroxy-2-[1-(5-methylthiophen-2-yl)ethyl]pentanoate?
The InChIKey is UFDXTLULRZRLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3S/c1-5-9-14(16,13(15)17-6-2)11(4)12-8-7-10(3)18-12/h7-8,11,16H,5-6,9H2,1-4H3.
What are the key properties of ethyl 2-hydroxy-2-[1-(5-methylthiophen-2-yl)ethyl]pentanoate?
ethyl 2-hydroxy-2-[1-(5-methylthiophen-2-yl)ethyl]pentanoate has a molecular weight of 270.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-[1-(5-methylthiophen-2-yl)ethyl]pentanoate is sourced from PubChem (CID 83051484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).