ethane;ethyl 2-acetylcyclopent-2-ene-1-carboxylate

C12H20O3 — CID 144911907

IUPACethane;ethyl 2-acetylcyclopent-2-ene-1-carboxylate
SMILESCC.CCOC(=O)C1CCC=C1C(C)=O
InChIInChI=1S/C10H14O3.C2H6/c1-3-13-10(12)9-6-4-5-8(9)7(2)11;1-2/h5,9H,3-4,6H2,1-2H3;1-2H3
InChIKeyHJXLDELBOIRYJI-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.50
Rot. Bonds3

About ethane;ethyl 2-acetylcyclopent-2-ene-1-carboxylate

ethane;ethyl 2-acetylcyclopent-2-ene-1-carboxylate (PubChem CID 144911907) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethane;ethyl 2-acetylcyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 2-acetylcyclopent-2-ene-1-carboxylate
PubChem CID144911907
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Nameethane;ethyl 2-acetylcyclopent-2-ene-1-carboxylate
SMILESCC.CCOC(=O)C1CCC=C1C(C)=O
InChIInChI=1S/C10H14O3.C2H6/c1-3-13-10(12)9-6-4-5-8(9)7(2)11;1-2/h5,9H,3-4,6H2,1-2H3;1-2H3
InChIKeyHJXLDELBOIRYJI-UHFFFAOYSA-N
XLogP2.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(4R,5S)-4-Methyl-5-(3-methylbut-2-en-1-yl)dihydrofuran-2(3H)-one
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Ethyl 2-methyl-4-oxocyclopent-2-ene-1-carboxylate
CID 11332690
Aspereusin E
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(4S)-4-[(3E)-3,7-dimethyl-5-oxoocta-3,6-dienyl]-3-methylideneoxolan-2-one
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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-acetylcyclopent-2-ene-1-carboxylate?
The IUPAC name of ethane;ethyl 2-acetylcyclopent-2-ene-1-carboxylate (CID 144911907) is ethane;ethyl 2-acetylcyclopent-2-ene-1-carboxylate.
What is the SMILES notation for ethane;ethyl 2-acetylcyclopent-2-ene-1-carboxylate?
The canonical SMILES for ethane;ethyl 2-acetylcyclopent-2-ene-1-carboxylate is CC.CCOC(=O)C1CCC=C1C(C)=O.
What is the InChIKey of ethane;ethyl 2-acetylcyclopent-2-ene-1-carboxylate?
The InChIKey is HJXLDELBOIRYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3.C2H6/c1-3-13-10(12)9-6-4-5-8(9)7(2)11;1-2/h5,9H,3-4,6H2,1-2H3;1-2H3.
What are the key properties of ethane;ethyl 2-acetylcyclopent-2-ene-1-carboxylate?
ethane;ethyl 2-acetylcyclopent-2-ene-1-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-acetylcyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 144911907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).