5-methyloxolane-3-carboxylic acid

C6H10O3 — CID 75481686

IUPAC5-methyloxolane-3-carboxylic acid
SMILESCC1CC(C(=O)O)CO1
InChIInChI=1S/C6H10O3/c1-4-2-5(3-9-4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyKXWUMIANQIGMCR-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.50
Rot. Bonds1

About 5-methyloxolane-3-carboxylic acid

5-methyloxolane-3-carboxylic acid (PubChem CID 75481686) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 5-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name5-methyloxolane-3-carboxylic acid
PubChem CID75481686
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name5-methyloxolane-3-carboxylic acid
SMILESCC1CC(C(=O)O)CO1
InChIInChI=1S/C6H10O3/c1-4-2-5(3-9-4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyKXWUMIANQIGMCR-UHFFFAOYSA-N
XLogP0.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-hydroxy-5,5-dimethyloxolan-2-one
CID 15565117
Sitophilate
CID 3082696
5,5-Dimethyloxolane-3-carboxylic acid
CID 121582920
(3R,4R)-4-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-one
CID 118708001
4-(1-Hydroxyethyl)oxolan-2-one
CID 12664706
2,2-Dimethyloxolane-3-carboxylic acid
CID 21133941
2-Ethoxy-3-methylcyclopropane-1-carboxylic acid
CID 43811024
5-Methyl-2-oxooxolane-3-carboxylic acid
CID 55299928
2-Methyloxolane-3-carboxylic acid
CID 66653552
(4R)-4-[(1R)-1-hydroxyethyl]-5,5-dimethyloxolan-2-one
CID 15313663
(3R,4S,1'R)-3-(1'-hydroxyethyl)-4-methyldihydrofuran-2(3H)-one
CID 25154885
(2R,3R,4S)-2,4-dimethyl-5-oxotetrahydrofuran-3-carboxylic acid
CID 102021603

Frequently Asked Questions

What is the IUPAC name of 5-methyloxolane-3-carboxylic acid?
The IUPAC name of 5-methyloxolane-3-carboxylic acid (CID 75481686) is 5-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 5-methyloxolane-3-carboxylic acid?
The canonical SMILES for 5-methyloxolane-3-carboxylic acid is CC1CC(C(=O)O)CO1.
What is the InChIKey of 5-methyloxolane-3-carboxylic acid?
The InChIKey is KXWUMIANQIGMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-4-2-5(3-9-4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8).
What are the key properties of 5-methyloxolane-3-carboxylic acid?
5-methyloxolane-3-carboxylic acid has a molecular weight of 130.14 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 75481686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).