5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid

C10H16O5 — CID 72789760

IUPAC5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid
SMILESCC1CC(C)(CC(=O)O)OC1(C)C(=O)O
InChIInChI=1S/C10H16O5/c1-6-4-9(2,5-7(11)12)15-10(6,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyMCGQKNRASJPXNC-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.12
Rot. Bonds3

About 5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid

5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid (PubChem CID 72789760) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid
PubChem CID72789760
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid
SMILESCC1CC(C)(CC(=O)O)OC1(C)C(=O)O
InChIInChI=1S/C10H16O5/c1-6-4-9(2,5-7(11)12)15-10(6,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyMCGQKNRASJPXNC-UHFFFAOYSA-N
XLogP1.12
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid?
The IUPAC name of 5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid (CID 72789760) is 5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid.
What is the SMILES notation for 5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid?
The canonical SMILES for 5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid is CC1CC(C)(CC(=O)O)OC1(C)C(=O)O.
What is the InChIKey of 5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid?
The InChIKey is MCGQKNRASJPXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-6-4-9(2,5-7(11)12)15-10(6,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid?
5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid has a molecular weight of 216.23 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid is sourced from PubChem (CID 72789760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).