5-(ethoxymethyl)-4,5-dihydroxycyclopent-2-en-1-one

C8H12O4 — CID 14566501

IUPAC5-(ethoxymethyl)-4,5-dihydroxycyclopent-2-en-1-one
SMILESCCOCC1(O)C(=O)C=CC1O
InChIInChI=1S/C8H12O4/c1-2-12-5-8(11)6(9)3-4-7(8)10/h3-4,6,9,11H,2,5H2,1H3
InChIKeyHCNOKASHMNXUEX-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.75
Rot. Bonds3

About 5-(ethoxymethyl)-4,5-dihydroxycyclopent-2-en-1-one

5-(ethoxymethyl)-4,5-dihydroxycyclopent-2-en-1-one (PubChem CID 14566501) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 5-(ethoxymethyl)-4,5-dihydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name5-(ethoxymethyl)-4,5-dihydroxycyclopent-2-en-1-one
PubChem CID14566501
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name5-(ethoxymethyl)-4,5-dihydroxycyclopent-2-en-1-one
SMILESCCOCC1(O)C(=O)C=CC1O
InChIInChI=1S/C8H12O4/c1-2-12-5-8(11)6(9)3-4-7(8)10/h3-4,6,9,11H,2,5H2,1H3
InChIKeyHCNOKASHMNXUEX-UHFFFAOYSA-N
XLogP-0.75
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-4,5-dihydroxycyclopent-2-en-1-one?
The IUPAC name of 5-(ethoxymethyl)-4,5-dihydroxycyclopent-2-en-1-one (CID 14566501) is 5-(ethoxymethyl)-4,5-dihydroxycyclopent-2-en-1-one.
What is the SMILES notation for 5-(ethoxymethyl)-4,5-dihydroxycyclopent-2-en-1-one?
The canonical SMILES for 5-(ethoxymethyl)-4,5-dihydroxycyclopent-2-en-1-one is CCOCC1(O)C(=O)C=CC1O.
What is the InChIKey of 5-(ethoxymethyl)-4,5-dihydroxycyclopent-2-en-1-one?
The InChIKey is HCNOKASHMNXUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-2-12-5-8(11)6(9)3-4-7(8)10/h3-4,6,9,11H,2,5H2,1H3.
What are the key properties of 5-(ethoxymethyl)-4,5-dihydroxycyclopent-2-en-1-one?
5-(ethoxymethyl)-4,5-dihydroxycyclopent-2-en-1-one has a molecular weight of 172.18 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-4,5-dihydroxycyclopent-2-en-1-one is sourced from PubChem (CID 14566501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).