ethyl 2-acetyloxycyclopentene-1-carboxylate

C10H14O4 — CID 12950273

IUPACethyl 2-acetyloxycyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(OC(C)=O)CCC1
InChIInChI=1S/C10H14O4/c1-3-13-10(12)8-5-4-6-9(8)14-7(2)11/h3-6H2,1-2H3
InChIKeyACHMFLDIPXUIQB-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.55
Rot. Bonds3

About ethyl 2-acetyloxycyclopentene-1-carboxylate

ethyl 2-acetyloxycyclopentene-1-carboxylate (PubChem CID 12950273) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is ethyl 2-acetyloxycyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetyloxycyclopentene-1-carboxylate
PubChem CID12950273
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Nameethyl 2-acetyloxycyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(OC(C)=O)CCC1
InChIInChI=1S/C10H14O4/c1-3-13-10(12)8-5-4-6-9(8)14-7(2)11/h3-6H2,1-2H3
InChIKeyACHMFLDIPXUIQB-UHFFFAOYSA-N
XLogP1.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Butyl-4-methyl-furan-2(5h)-one
CID 14616858
1,2-Dimethyl cyclobut-1-ene-1,2-dicarboxylate
CID 317455
3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester
CID 86111
3-Furancarboxylic acid, 5-ethyl-4,5-dihydro-2-methyl-, ethyl ester
CID 113476
3-butyl-2(5H)-furanone
CID 11768654
Ethyl 2-methylcyclopent-1-ene-1-carboxylate
CID 13416667
Pestalafuranone C
CID 139585320
2(5H)Furanone, 3-butyl-4-hydroxy-
CID 54676120
Setosphapyrone D
CID 139590085
(2R)-4-butyl-2-methyl-2H-furan-5-one
CID 13548531
Ficifuranone A
CID 139584106
3-Butyl-4-methylfuran-2,5-dione
CID 298846

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyloxycyclopentene-1-carboxylate?
The IUPAC name of ethyl 2-acetyloxycyclopentene-1-carboxylate (CID 12950273) is ethyl 2-acetyloxycyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 2-acetyloxycyclopentene-1-carboxylate?
The canonical SMILES for ethyl 2-acetyloxycyclopentene-1-carboxylate is CCOC(=O)C1=C(OC(C)=O)CCC1.
What is the InChIKey of ethyl 2-acetyloxycyclopentene-1-carboxylate?
The InChIKey is ACHMFLDIPXUIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-3-13-10(12)8-5-4-6-9(8)14-7(2)11/h3-6H2,1-2H3.
What are the key properties of ethyl 2-acetyloxycyclopentene-1-carboxylate?
ethyl 2-acetyloxycyclopentene-1-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyloxycyclopentene-1-carboxylate is sourced from PubChem (CID 12950273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).