3-(2-hydroxyethyl)-2-methyloxolane-3-carboxylic acid

C8H14O4 — CID 114533650

IUPAC3-(2-hydroxyethyl)-2-methyloxolane-3-carboxylic acid
SMILESCC1OCCC1(CCO)C(=O)O
InChIInChI=1S/C8H14O4/c1-6-8(2-4-9,7(10)11)3-5-12-6/h6,9H,2-5H2,1H3,(H,10,11)
InChIKeySLLPFCXMNIIDQZ-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.25
Rot. Bonds3

About 3-(2-hydroxyethyl)-2-methyloxolane-3-carboxylic acid

3-(2-hydroxyethyl)-2-methyloxolane-3-carboxylic acid (PubChem CID 114533650) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-2-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-2-methyloxolane-3-carboxylic acid
PubChem CID114533650
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name3-(2-hydroxyethyl)-2-methyloxolane-3-carboxylic acid
SMILESCC1OCCC1(CCO)C(=O)O
InChIInChI=1S/C8H14O4/c1-6-8(2-4-9,7(10)11)3-5-12-6/h6,9H,2-5H2,1H3,(H,10,11)
InChIKeySLLPFCXMNIIDQZ-UHFFFAOYSA-N
XLogP0.25
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(3-methylbutyl)oxolane-3-carboxylic acid
CID 114533698
2-methyl-3-(2-phenylethyl)oxolane-3-carboxylic acid
CID 114533705
2-methyl-3-[2-(trifluoromethoxy)ethyl]oxolane-3-carboxylic acid
CID 114533932
3-(3-ethoxypropyl)-2-methyloxolane-3-carboxylic acid
CID 114533764
2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxylic acid
CID 114533919
2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid
CID 114533651
2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolane-3-carboxylic acid
CID 103005136
2-methyl-3-(2-pyridin-3-ylethyl)oxolane-3-carboxylic acid
CID 114533869
[3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol
CID 130490555
2-cyclopropyl-3-(4-hydroxybutyl)oxolane-3-carboxylic acid
CID 104509164
3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolane-3-carboxylic acid
CID 114533775
2-cyclopropyl-3-(6-hydroxyhexyl)oxolane-3-carboxylic acid
CID 107704758

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-2-methyloxolane-3-carboxylic acid?
The IUPAC name of 3-(2-hydroxyethyl)-2-methyloxolane-3-carboxylic acid (CID 114533650) is 3-(2-hydroxyethyl)-2-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxyethyl)-2-methyloxolane-3-carboxylic acid?
The canonical SMILES for 3-(2-hydroxyethyl)-2-methyloxolane-3-carboxylic acid is CC1OCCC1(CCO)C(=O)O.
What is the InChIKey of 3-(2-hydroxyethyl)-2-methyloxolane-3-carboxylic acid?
The InChIKey is SLLPFCXMNIIDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-6-8(2-4-9,7(10)11)3-5-12-6/h6,9H,2-5H2,1H3,(H,10,11).
What are the key properties of 3-(2-hydroxyethyl)-2-methyloxolane-3-carboxylic acid?
3-(2-hydroxyethyl)-2-methyloxolane-3-carboxylic acid has a molecular weight of 174.20 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-2-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 114533650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).