ethyl 5-acetyloxycyclopentene-1-carboxylate

C10H14O4 — CID 11138069

IUPACethyl 5-acetyloxycyclopentene-1-carboxylate
SMILESCCOC(=O)C1=CCCC1OC(C)=O
InChIInChI=1S/C10H14O4/c1-3-13-10(12)8-5-4-6-9(8)14-7(2)11/h5,9H,3-4,6H2,1-2H3
InChIKeyZRBIIJNQSLHRAQ-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.20
Rot. Bonds3

About ethyl 5-acetyloxycyclopentene-1-carboxylate

ethyl 5-acetyloxycyclopentene-1-carboxylate (PubChem CID 11138069) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is ethyl 5-acetyloxycyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyloxycyclopentene-1-carboxylate
PubChem CID11138069
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Nameethyl 5-acetyloxycyclopentene-1-carboxylate
SMILESCCOC(=O)C1=CCCC1OC(C)=O
InChIInChI=1S/C10H14O4/c1-3-13-10(12)8-5-4-6-9(8)14-7(2)11/h5,9H,3-4,6H2,1-2H3
InChIKeyZRBIIJNQSLHRAQ-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyloxycyclopentene-1-carboxylate?
The IUPAC name of ethyl 5-acetyloxycyclopentene-1-carboxylate (CID 11138069) is ethyl 5-acetyloxycyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 5-acetyloxycyclopentene-1-carboxylate?
The canonical SMILES for ethyl 5-acetyloxycyclopentene-1-carboxylate is CCOC(=O)C1=CCCC1OC(C)=O.
What is the InChIKey of ethyl 5-acetyloxycyclopentene-1-carboxylate?
The InChIKey is ZRBIIJNQSLHRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-3-13-10(12)8-5-4-6-9(8)14-7(2)11/h5,9H,3-4,6H2,1-2H3.
What are the key properties of ethyl 5-acetyloxycyclopentene-1-carboxylate?
ethyl 5-acetyloxycyclopentene-1-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyloxycyclopentene-1-carboxylate is sourced from PubChem (CID 11138069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).