2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolane-3-carboxylic acid

C13H22O5S — CID 104509316

IUPAC2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolane-3-carboxylic acid
SMILESCCS(=O)(=O)CCCC1(C(=O)O)CCOC1C1CC1
InChIInChI=1S/C13H22O5S/c1-2-19(16,17)9-3-6-13(12(14)15)7-8-18-11(13)10-4-5-10/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyUEHVTIVNKIVVIO-UHFFFAOYSA-N
MW290.38 g/mol
LogP1.47
Rot. Bonds7

About 2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolane-3-carboxylic acid

2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolane-3-carboxylic acid (PubChem CID 104509316) has the molecular formula C13H22O5S and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolane-3-carboxylic acid
PubChem CID104509316
Molecular FormulaC13H22O5S
Molecular Weight290.38 g/mol
Exact Mass290.12
IUPAC Name2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolane-3-carboxylic acid
SMILESCCS(=O)(=O)CCCC1(C(=O)O)CCOC1C1CC1
InChIInChI=1S/C13H22O5S/c1-2-19(16,17)9-3-6-13(12(14)15)7-8-18-11(13)10-4-5-10/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyUEHVTIVNKIVVIO-UHFFFAOYSA-N
XLogP1.47
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(3-methoxypropyl)oxolane-3-carboxylic acid
CID 104509353
2-cyclopropyl-3-(4-hydroxybutyl)oxolane-3-carboxylic acid
CID 104509164
2-cyclopropyl-3-(6-hydroxyhexyl)oxolane-3-carboxylic acid
CID 107704758
2-cyclopropyl-3-pent-4-enyloxolane-3-carboxylic acid
CID 104509214
2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolan-3-amine
CID 113420901
2-cyclopropyl-3-(trimethylsilylmethyl)oxolane-3-carboxylic acid
CID 106323012
2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolane-3-carboxylic acid
CID 103034811
2-cyclopropyl-3-(2-pyridin-4-ylethyl)oxolane-3-carboxylic acid
CID 104509322
[2-cyclopropyl-3-(2-ethylsulfonylethyl)oxolan-3-yl]methanamine
CID 104509499
2-cyclopropyl-3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carboxylic acid
CID 103136129
2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolane-3-carboxylic acid
CID 106930065
2-cyclopropyl-3-(2-propylsulfonylethyl)oxolan-3-amine
CID 106733925

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolane-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolane-3-carboxylic acid (CID 104509316) is 2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolane-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolane-3-carboxylic acid is CCS(=O)(=O)CCCC1(C(=O)O)CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolane-3-carboxylic acid?
The InChIKey is UEHVTIVNKIVVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5S/c1-2-19(16,17)9-3-6-13(12(14)15)7-8-18-11(13)10-4-5-10/h10-11H,2-9H2,1H3,(H,14,15).
What are the key properties of 2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolane-3-carboxylic acid?
2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolane-3-carboxylic acid has a molecular weight of 290.38 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 104509316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).