2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one;ethane

C10H18O5 — CID 143323978

IUPAC2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one;ethane
SMILESCC.COCC(O)C1CC(=O)C(O)=C1O
InChIInChI=1S/C8H12O5.C2H6/c1-13-3-6(10)4-2-5(9)8(12)7(4)11;1-2/h4,6,10-12H,2-3H2,1H3;1-2H3
InChIKeyYHBRMHRXHGZRJH-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.94
Rot. Bonds3

About 2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one;ethane

2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one;ethane (PubChem CID 143323978) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one;ethane.

Molecular Properties

Compound Name2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one;ethane
PubChem CID143323978
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one;ethane
SMILESCC.COCC(O)C1CC(=O)C(O)=C1O
InChIInChI=1S/C8H12O5.C2H6/c1-13-3-6(10)4-2-5(9)8(12)7(4)11;1-2/h4,6,10-12H,2-3H2,1H3;1-2H3
InChIKeyYHBRMHRXHGZRJH-UHFFFAOYSA-N
XLogP0.94
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one;ethane?
The IUPAC name of 2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one;ethane (CID 143323978) is 2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one;ethane.
What is the SMILES notation for 2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one;ethane?
The canonical SMILES for 2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one;ethane is CC.COCC(O)C1CC(=O)C(O)=C1O.
What is the InChIKey of 2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one;ethane?
The InChIKey is YHBRMHRXHGZRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5.C2H6/c1-13-3-6(10)4-2-5(9)8(12)7(4)11;1-2/h4,6,10-12H,2-3H2,1H3;1-2H3.
What are the key properties of 2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one;ethane?
2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one;ethane has a molecular weight of 218.25 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one;ethane is sourced from PubChem (CID 143323978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).