ethane;methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate

C10H16O6 — CID 143298515

IUPACethane;methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate
SMILESCC.COC(=O)C(O)C1CC(=O)C(O)=C1O
InChIInChI=1S/C8H10O6.C2H6/c1-14-8(13)6(11)3-2-4(9)7(12)5(3)10;1-2/h3,6,10-12H,2H2,1H3;1-2H3
InChIKeyUARVUMYBIRZAGO-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.46
Rot. Bonds2

About ethane;methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate

ethane;methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate (PubChem CID 143298515) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is ethane;methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethane;methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate
PubChem CID143298515
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Nameethane;methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate
SMILESCC.COC(=O)C(O)C1CC(=O)C(O)=C1O
InChIInChI=1S/C8H10O6.C2H6/c1-14-8(13)6(11)3-2-4(9)7(12)5(3)10;1-2/h3,6,10-12H,2H2,1H3;1-2H3
InChIKeyUARVUMYBIRZAGO-UHFFFAOYSA-N
XLogP0.46
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-O-[2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyethyl] 4-O-fluoro butanedioate
CID 142856537
2,3-Dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one
CID 23529086
4-[2-(2,2-Dimethylpropoxy)-1-hydroxyethyl]-2,3-dihydroxycyclopent-2-en-1-one
CID 60017001
4-O-tert-butyl 1-O-[2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyethyl] butanedioate
CID 60017008
2,2-Dimethylpropyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate
CID 60017009
Methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate
CID 71206230
4-O-[2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyethyl] 1-O-methyl butanedioate
CID 118500720
2-(2,3-Dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetic acid
CID 142856651
4-(1,2-Dihydroxyethyl)-2-hydroxy-3-methoxycyclopent-2-en-1-one
CID 142856652
ethane;4-O-[2-hydroxy-2-(3-hydroxy-4-oxocyclopent-2-en-1-yl)ethyl] 1-O-methyl butanedioate
CID 143126931
4-O-[2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyethyl] 1-O-methyl butanedioate;ethane
CID 143303573
2,3-Dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one;ethane
CID 143323978

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate?
The IUPAC name of ethane;methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate (CID 143298515) is ethane;methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate.
What is the SMILES notation for ethane;methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate?
The canonical SMILES for ethane;methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate is CC.COC(=O)C(O)C1CC(=O)C(O)=C1O.
What is the InChIKey of ethane;methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate?
The InChIKey is UARVUMYBIRZAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O6.C2H6/c1-14-8(13)6(11)3-2-4(9)7(12)5(3)10;1-2/h3,6,10-12H,2H2,1H3;1-2H3.
What are the key properties of ethane;methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate?
ethane;methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate has a molecular weight of 232.23 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate is sourced from PubChem (CID 143298515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).