ethyl 3-hydroxycyclopentene-1-carboxylate

C8H12O3 — CID 154713667

IUPACethyl 3-hydroxycyclopentene-1-carboxylate
SMILESCCOC(=O)C1=CC(O)CC1
InChIInChI=1S/C8H12O3/c1-2-11-8(10)6-3-4-7(9)5-6/h5,7,9H,2-4H2,1H3
InChIKeyWIMGGSRYVGJKBK-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.63
Rot. Bonds2

About ethyl 3-hydroxycyclopentene-1-carboxylate

ethyl 3-hydroxycyclopentene-1-carboxylate (PubChem CID 154713667) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is ethyl 3-hydroxycyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxycyclopentene-1-carboxylate
PubChem CID154713667
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Nameethyl 3-hydroxycyclopentene-1-carboxylate
SMILESCCOC(=O)C1=CC(O)CC1
InChIInChI=1S/C8H12O3/c1-2-11-8(10)6-3-4-7(9)5-6/h5,7,9H,2-4H2,1H3
InChIKeyWIMGGSRYVGJKBK-UHFFFAOYSA-N
XLogP0.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxycyclopentene-1-carboxylate?
The IUPAC name of ethyl 3-hydroxycyclopentene-1-carboxylate (CID 154713667) is ethyl 3-hydroxycyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 3-hydroxycyclopentene-1-carboxylate?
The canonical SMILES for ethyl 3-hydroxycyclopentene-1-carboxylate is CCOC(=O)C1=CC(O)CC1.
What is the InChIKey of ethyl 3-hydroxycyclopentene-1-carboxylate?
The InChIKey is WIMGGSRYVGJKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-11-8(10)6-3-4-7(9)5-6/h5,7,9H,2-4H2,1H3.
What are the key properties of ethyl 3-hydroxycyclopentene-1-carboxylate?
ethyl 3-hydroxycyclopentene-1-carboxylate has a molecular weight of 156.18 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxycyclopentene-1-carboxylate is sourced from PubChem (CID 154713667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).