2-[5-(2-acetyloxyethyl)thiophen-2-yl]ethyl acetate

C12H16O4S — CID 175462165

IUPAC2-[5-(2-acetyloxyethyl)thiophen-2-yl]ethyl acetate
SMILESCC(=O)OCCc1ccc(CCOC(C)=O)s1
InChIInChI=1S/C12H16O4S/c1-9(13)15-7-5-11-3-4-12(17-11)6-8-16-10(2)14/h3-4H,5-8H2,1-2H3
InChIKeyZOAFJHUBKDUXTR-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.96
Rot. Bonds6

About 2-[5-(2-acetyloxyethyl)thiophen-2-yl]ethyl acetate

2-[5-(2-acetyloxyethyl)thiophen-2-yl]ethyl acetate (PubChem CID 175462165) has the molecular formula C12H16O4S and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-[5-(2-acetyloxyethyl)thiophen-2-yl]ethyl acetate.

Molecular Properties

Compound Name2-[5-(2-acetyloxyethyl)thiophen-2-yl]ethyl acetate
PubChem CID175462165
Molecular FormulaC12H16O4S
Molecular Weight256.32 g/mol
Exact Mass256.08
IUPAC Name2-[5-(2-acetyloxyethyl)thiophen-2-yl]ethyl acetate
SMILESCC(=O)OCCc1ccc(CCOC(C)=O)s1
InChIInChI=1S/C12H16O4S/c1-9(13)15-7-5-11-3-4-12(17-11)6-8-16-10(2)14/h3-4H,5-8H2,1-2H3
InChIKeyZOAFJHUBKDUXTR-UHFFFAOYSA-N
XLogP1.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(hydroxymethyl)thiophen-2-yl]ethyl acetate
CID 143684331
2-(5-nitrothiophen-2-yl)ethyl acetate
CID 59544213
ethane;2-(5-nitrothiophen-2-yl)ethyl acetate
CID 143802104
2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate
CID 6421422
2-phenylethyl acetate
CID 7654
2-(1,3-oxazol-4-yl)ethyl acetate
CID 154014083
acetic acid;2-phenylethyl acetate
CID 174791962
2-(4,8-dioxothieno[3,2-f][1]benzothiol-2-yl)ethyl acetate
CID 70208757
2-[5-[(E)-2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethenyl]thiophen-2-yl]ethyl acetate
CID 58181289
N,N-dimethylmethanamine;2-phenylethyl acetate
CID 67859846
2-(4-butylphenyl)ethyl acetate
CID 91655434
2-azulen-6-ylethyl acetate
CID 593065

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-acetyloxyethyl)thiophen-2-yl]ethyl acetate?
The IUPAC name of 2-[5-(2-acetyloxyethyl)thiophen-2-yl]ethyl acetate (CID 175462165) is 2-[5-(2-acetyloxyethyl)thiophen-2-yl]ethyl acetate.
What is the SMILES notation for 2-[5-(2-acetyloxyethyl)thiophen-2-yl]ethyl acetate?
The canonical SMILES for 2-[5-(2-acetyloxyethyl)thiophen-2-yl]ethyl acetate is CC(=O)OCCc1ccc(CCOC(C)=O)s1.
What is the InChIKey of 2-[5-(2-acetyloxyethyl)thiophen-2-yl]ethyl acetate?
The InChIKey is ZOAFJHUBKDUXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4S/c1-9(13)15-7-5-11-3-4-12(17-11)6-8-16-10(2)14/h3-4H,5-8H2,1-2H3.
What are the key properties of 2-[5-(2-acetyloxyethyl)thiophen-2-yl]ethyl acetate?
2-[5-(2-acetyloxyethyl)thiophen-2-yl]ethyl acetate has a molecular weight of 256.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-acetyloxyethyl)thiophen-2-yl]ethyl acetate is sourced from PubChem (CID 175462165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).