5-methyloxolane-2,3-dicarboxylic acid

C7H10O5 — CID 70497791

IUPAC5-methyloxolane-2,3-dicarboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)O)O1
InChIInChI=1S/C7H10O5/c1-3-2-4(6(8)9)5(12-3)7(10)11/h3-5H,2H2,1H3,(H,8,9)(H,10,11)
InChIKeyGFDLBOBWQZHESD-UHFFFAOYSA-N
MW174.15 g/mol
LogP-0.05
Rot. Bonds2

About 5-methyloxolane-2,3-dicarboxylic acid

5-methyloxolane-2,3-dicarboxylic acid (PubChem CID 70497791) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is 5-methyloxolane-2,3-dicarboxylic acid.

Molecular Properties

Compound Name5-methyloxolane-2,3-dicarboxylic acid
PubChem CID70497791
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name5-methyloxolane-2,3-dicarboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)O)O1
InChIInChI=1S/C7H10O5/c1-3-2-4(6(8)9)5(12-3)7(10)11/h3-5H,2H2,1H3,(H,8,9)(H,10,11)
InChIKeyGFDLBOBWQZHESD-UHFFFAOYSA-N
XLogP-0.05
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

D-Galactono-1,4-Lactone
CID 97165
L-Gulonic acid, gamma-lactone
CID 439373
D-glucaro-1,4-lactone
CID 122306
L-galactono-1,4-lactone
CID 6857365
Tetrahydrofuran-2,3,4,5-tetracarboxylic acid, mixed isomers
CID 97421
GlyTouCan:G63727IH
CID 1149778
Gulonolactone
CID 165105
6-Deoxy-L-galactonolactone
CID 242516
Tetrahydro-5-oxofuran-2,3-dicarboxylic acid
CID 98259
Homoisocitrate
CID 5460287
L-xylo-Hex-2-ulono-1,4-lactone
CID 439966
5-(1,2-Dihydroxy-ethyl)-3,4-dihydroxy-dihydro-furan-2-one
CID 608

Frequently Asked Questions

What is the IUPAC name of 5-methyloxolane-2,3-dicarboxylic acid?
The IUPAC name of 5-methyloxolane-2,3-dicarboxylic acid (CID 70497791) is 5-methyloxolane-2,3-dicarboxylic acid.
What is the SMILES notation for 5-methyloxolane-2,3-dicarboxylic acid?
The canonical SMILES for 5-methyloxolane-2,3-dicarboxylic acid is CC1CC(C(=O)O)C(C(=O)O)O1.
What is the InChIKey of 5-methyloxolane-2,3-dicarboxylic acid?
The InChIKey is GFDLBOBWQZHESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5/c1-3-2-4(6(8)9)5(12-3)7(10)11/h3-5H,2H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 5-methyloxolane-2,3-dicarboxylic acid?
5-methyloxolane-2,3-dicarboxylic acid has a molecular weight of 174.15 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyloxolane-2,3-dicarboxylic acid is sourced from PubChem (CID 70497791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).