ethyl 3-acetyloxy-3-(furan-2-yl)propanoate

C11H14O5 — CID 13173231

IUPACethyl 3-acetyloxy-3-(furan-2-yl)propanoate
SMILESCCOC(=O)CC(OC(C)=O)c1ccco1
InChIInChI=1S/C11H14O5/c1-3-14-11(13)7-10(16-8(2)12)9-5-4-6-15-9/h4-6,10H,3,7H2,1-2H3
InChIKeyCPTJAIJAHJRYKN-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.84
Rot. Bonds5

About ethyl 3-acetyloxy-3-(furan-2-yl)propanoate

ethyl 3-acetyloxy-3-(furan-2-yl)propanoate (PubChem CID 13173231) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl 3-acetyloxy-3-(furan-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-acetyloxy-3-(furan-2-yl)propanoate
PubChem CID13173231
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Nameethyl 3-acetyloxy-3-(furan-2-yl)propanoate
SMILESCCOC(=O)CC(OC(C)=O)c1ccco1
InChIInChI=1S/C11H14O5/c1-3-14-11(13)7-10(16-8(2)12)9-5-4-6-15-9/h4-6,10H,3,7H2,1-2H3
InChIKeyCPTJAIJAHJRYKN-UHFFFAOYSA-N
XLogP1.84
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-ethoxy-1-(furan-2-yl)-3-oxopropyl] butanoate
CID 11299776
[(1S)-3-ethoxy-1-(furan-2-yl)-3-oxopropyl] butanoate
CID 11379796
ethyl (3S)-3-(furan-2-yl)-3-(hydroxyamino)propanoate
CID 125473077
ethyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]butanoate
CID 81399972
ethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate
CID 103238482
ethyl 4,4-dicyano-3-(furan-2-yl)butanoate
CID 11020747
diethyl 2-[(1S)-1-(furan-2-yl)-3-oxobutyl]propanedioate
CID 12966059
ethyl (3S)-4-(furan-2-yl)-3-methyl-4-oxobutanoate
CID 134968543
ethyl 2-[1-(furan-2-yl)ethylamino]propanoate
CID 61498285
ethyl 2-acetamido-2-(furan-2-yl)acetate
CID 14212852
ethyl (3S)-3-(furan-2-yl)-3-(3-methoxyphenyl)propanoate
CID 132919286
ethyl 3-[[(2S)-2-acetyloxy-2-phenylethyl]amino]-3-oxopropanoate
CID 124895899

Frequently Asked Questions

What is the IUPAC name of ethyl 3-acetyloxy-3-(furan-2-yl)propanoate?
The IUPAC name of ethyl 3-acetyloxy-3-(furan-2-yl)propanoate (CID 13173231) is ethyl 3-acetyloxy-3-(furan-2-yl)propanoate.
What is the SMILES notation for ethyl 3-acetyloxy-3-(furan-2-yl)propanoate?
The canonical SMILES for ethyl 3-acetyloxy-3-(furan-2-yl)propanoate is CCOC(=O)CC(OC(C)=O)c1ccco1.
What is the InChIKey of ethyl 3-acetyloxy-3-(furan-2-yl)propanoate?
The InChIKey is CPTJAIJAHJRYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-3-14-11(13)7-10(16-8(2)12)9-5-4-6-15-9/h4-6,10H,3,7H2,1-2H3.
What are the key properties of ethyl 3-acetyloxy-3-(furan-2-yl)propanoate?
ethyl 3-acetyloxy-3-(furan-2-yl)propanoate has a molecular weight of 226.23 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-acetyloxy-3-(furan-2-yl)propanoate is sourced from PubChem (CID 13173231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).