ethyl acetate;2-(methoxymethyl)thiophene

C10H16O3S — CID 174707277

IUPACethyl acetate;2-(methoxymethyl)thiophene
SMILESCCOC(C)=O.COCc1cccs1
InChIInChI=1S/C6H8OS.C4H8O2/c1-7-5-6-3-2-4-8-6;1-3-6-4(2)5/h2-4H,5H2,1H3;3H2,1-2H3
InChIKeyTXUAFGLJQHSQHO-UHFFFAOYSA-N
MW216.30 g/mol
LogP2.46
Rot. Bonds3

About ethyl acetate;2-(methoxymethyl)thiophene

ethyl acetate;2-(methoxymethyl)thiophene (PubChem CID 174707277) has the molecular formula C10H16O3S and a molecular weight of 216.30 g/mol. Its IUPAC name is ethyl acetate;2-(methoxymethyl)thiophene.

Molecular Properties

Compound Nameethyl acetate;2-(methoxymethyl)thiophene
PubChem CID174707277
Molecular FormulaC10H16O3S
Molecular Weight216.30 g/mol
Exact Mass216.08
IUPAC Nameethyl acetate;2-(methoxymethyl)thiophene
SMILESCCOC(C)=O.COCc1cccs1
InChIInChI=1S/C6H8OS.C4H8O2/c1-7-5-6-3-2-4-8-6;1-3-6-4(2)5/h2-4H,5H2,1H3;3H2,1-2H3
InChIKeyTXUAFGLJQHSQHO-UHFFFAOYSA-N
XLogP2.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 160876049
2-(methoxymethyl)thiophene
CID 10240820
ethyl 2-(thiophen-2-ylmethoxy)acetate
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[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate
CID 134567543
ethyl 3-oxo-2-(thiophen-2-ylmethyl)butanoate
CID 19009734
ethyl (2R)-2-hydroxy-3-oxo-4-thiophen-2-ylbutanoate
CID 100936986
2-(ethoxymethyl)thiophene
CID 12699283
2-(methoxymethyl)thiophene;2-methylsulfanylthiophene;2-methylthiophene;1-thiophen-2-ylethanone
CID 159845554
ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate
CID 166273196
ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate
CID 54937741
thiophen-2-ylmethyl 3-amino-2-hydroxypropanoate
CID 66167892
ethyl 2-(thionin-2-yl)acetate
CID 174897632

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;2-(methoxymethyl)thiophene?
The IUPAC name of ethyl acetate;2-(methoxymethyl)thiophene (CID 174707277) is ethyl acetate;2-(methoxymethyl)thiophene.
What is the SMILES notation for ethyl acetate;2-(methoxymethyl)thiophene?
The canonical SMILES for ethyl acetate;2-(methoxymethyl)thiophene is CCOC(C)=O.COCc1cccs1.
What is the InChIKey of ethyl acetate;2-(methoxymethyl)thiophene?
The InChIKey is TXUAFGLJQHSQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS.C4H8O2/c1-7-5-6-3-2-4-8-6;1-3-6-4(2)5/h2-4H,5H2,1H3;3H2,1-2H3.
What are the key properties of ethyl acetate;2-(methoxymethyl)thiophene?
ethyl acetate;2-(methoxymethyl)thiophene has a molecular weight of 216.30 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;2-(methoxymethyl)thiophene is sourced from PubChem (CID 174707277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).