ethyl 4-ethyl-2,3-dihydroxycyclopenta-1,3-diene-1-carboxylate

C10H14O4 — CID 89308257

IUPACethyl 4-ethyl-2,3-dihydroxycyclopenta-1,3-diene-1-carboxylate
SMILESCCOC(=O)C1=C(O)C(O)=C(CC)C1
InChIInChI=1S/C10H14O4/c1-3-6-5-7(9(12)8(6)11)10(13)14-4-2/h11-12H,3-5H2,1-2H3
InChIKeyRGIDOUQGECCLCR-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.99
Rot. Bonds3

About ethyl 4-ethyl-2,3-dihydroxycyclopenta-1,3-diene-1-carboxylate

ethyl 4-ethyl-2,3-dihydroxycyclopenta-1,3-diene-1-carboxylate (PubChem CID 89308257) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is ethyl 4-ethyl-2,3-dihydroxycyclopenta-1,3-diene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-2,3-dihydroxycyclopenta-1,3-diene-1-carboxylate
PubChem CID89308257
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Nameethyl 4-ethyl-2,3-dihydroxycyclopenta-1,3-diene-1-carboxylate
SMILESCCOC(=O)C1=C(O)C(O)=C(CC)C1
InChIInChI=1S/C10H14O4/c1-3-6-5-7(9(12)8(6)11)10(13)14-4-2/h11-12H,3-5H2,1-2H3
InChIKeyRGIDOUQGECCLCR-UHFFFAOYSA-N
XLogP1.99
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-2,3-dihydroxycyclopenta-1,3-diene-1-carboxylate?
The IUPAC name of ethyl 4-ethyl-2,3-dihydroxycyclopenta-1,3-diene-1-carboxylate (CID 89308257) is ethyl 4-ethyl-2,3-dihydroxycyclopenta-1,3-diene-1-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-2,3-dihydroxycyclopenta-1,3-diene-1-carboxylate?
The canonical SMILES for ethyl 4-ethyl-2,3-dihydroxycyclopenta-1,3-diene-1-carboxylate is CCOC(=O)C1=C(O)C(O)=C(CC)C1.
What is the InChIKey of ethyl 4-ethyl-2,3-dihydroxycyclopenta-1,3-diene-1-carboxylate?
The InChIKey is RGIDOUQGECCLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-3-6-5-7(9(12)8(6)11)10(13)14-4-2/h11-12H,3-5H2,1-2H3.
What are the key properties of ethyl 4-ethyl-2,3-dihydroxycyclopenta-1,3-diene-1-carboxylate?
ethyl 4-ethyl-2,3-dihydroxycyclopenta-1,3-diene-1-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-2,3-dihydroxycyclopenta-1,3-diene-1-carboxylate is sourced from PubChem (CID 89308257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).