2-(oxan-4-yl)-3,4-dihydropyran-2-carboxylic acid

C11H16O4 — CID 130656125

IUPAC2-(oxan-4-yl)-3,4-dihydropyran-2-carboxylic acid
SMILESO=C(O)C1(C2CCOCC2)CCC=CO1
InChIInChI=1S/C11H16O4/c12-10(13)11(5-1-2-6-15-11)9-3-7-14-8-4-9/h2,6,9H,1,3-5,7-8H2,(H,12,13)
InChIKeyOJKUPUKBYFVCHQ-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.56
Rot. Bonds2

About 2-(oxan-4-yl)-3,4-dihydropyran-2-carboxylic acid

2-(oxan-4-yl)-3,4-dihydropyran-2-carboxylic acid (PubChem CID 130656125) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-(oxan-4-yl)-3,4-dihydropyran-2-carboxylic acid.

Molecular Properties

Compound Name2-(oxan-4-yl)-3,4-dihydropyran-2-carboxylic acid
PubChem CID130656125
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2-(oxan-4-yl)-3,4-dihydropyran-2-carboxylic acid
SMILESO=C(O)C1(C2CCOCC2)CCC=CO1
InChIInChI=1S/C11H16O4/c12-10(13)11(5-1-2-6-15-11)9-3-7-14-8-4-9/h2,6,9H,1,3-5,7-8H2,(H,12,13)
InChIKeyOJKUPUKBYFVCHQ-UHFFFAOYSA-N
XLogP1.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(oxan-4-yl)-3,4-dihydropyran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-formyl-3,4-dihydropyran-2-carboxylic acid
CID 18955221
(2R)-2-methyl-3,4-dihydropyran-2-carboxylic acid
CID 121475933
2-oxabicyclo[3.1.0]hexane-1-carboxylic acid
CID 21401806
2-methyl-1-(oxan-4-yl)cyclopentane-1-carboxylic acid
CID 130992604
2-(oxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 79429640
3-(oxolan-3-yl)oxolane-3-carboxylic acid
CID 79426025
1-[(oxan-4-ylamino)methyl]cyclopropane-1-carboxylic acid
CID 115242782
4-(oxan-4-yl)-2,3-dihydrochromene-4-carboxylic acid
CID 79429724
4-[(2-cyclopent-2-en-1-ylacetyl)amino]oxane-4-carboxylic acid
CID 113280127
4-cyclobutyloxyoxane-4-carboxylic acid
CID 82237407
1-(oxane-4-carbonyl)cyclobutane-1-carboxylic acid
CID 116921887
1-[(oxan-4-ylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246414

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-3,4-dihydropyran-2-carboxylic acid?
The IUPAC name of 2-(oxan-4-yl)-3,4-dihydropyran-2-carboxylic acid (CID 130656125) is 2-(oxan-4-yl)-3,4-dihydropyran-2-carboxylic acid.
What is the SMILES notation for 2-(oxan-4-yl)-3,4-dihydropyran-2-carboxylic acid?
The canonical SMILES for 2-(oxan-4-yl)-3,4-dihydropyran-2-carboxylic acid is O=C(O)C1(C2CCOCC2)CCC=CO1.
What is the InChIKey of 2-(oxan-4-yl)-3,4-dihydropyran-2-carboxylic acid?
The InChIKey is OJKUPUKBYFVCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c12-10(13)11(5-1-2-6-15-11)9-3-7-14-8-4-9/h2,6,9H,1,3-5,7-8H2,(H,12,13).
What are the key properties of 2-(oxan-4-yl)-3,4-dihydropyran-2-carboxylic acid?
2-(oxan-4-yl)-3,4-dihydropyran-2-carboxylic acid has a molecular weight of 212.24 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-3,4-dihydropyran-2-carboxylic acid is sourced from PubChem (CID 130656125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).