2-(oxan-4-ylmethyl)oxolane-2-carboxylic acid

C11H18O4 — CID 131026714

IUPAC2-(oxan-4-ylmethyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1(CC2CCOCC2)CCCO1
InChIInChI=1S/C11H18O4/c12-10(13)11(4-1-5-15-11)8-9-2-6-14-7-3-9/h9H,1-8H2,(H,12,13)
InChIKeySHMLIPZNIMGJLR-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.44
Rot. Bonds3

About 2-(oxan-4-ylmethyl)oxolane-2-carboxylic acid

2-(oxan-4-ylmethyl)oxolane-2-carboxylic acid (PubChem CID 131026714) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(oxan-4-ylmethyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-(oxan-4-ylmethyl)oxolane-2-carboxylic acid
PubChem CID131026714
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-(oxan-4-ylmethyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1(CC2CCOCC2)CCCO1
InChIInChI=1S/C11H18O4/c12-10(13)11(4-1-5-15-11)8-9-2-6-14-7-3-9/h9H,1-8H2,(H,12,13)
InChIKeySHMLIPZNIMGJLR-UHFFFAOYSA-N
XLogP1.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(oxan-4-ylmethyl)oxolane-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-benzyloxolane-2-carboxylic acid
CID 18467992
(2R)-2-(methoxymethyl)oxane-2-carboxylic acid
CID 129412517
4-[[1-(chloromethyl)cyclobutyl]methyl]oxane
CID 66033311
1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 63712173
1-(oxan-4-ylmethyl)cyclobutan-1-amine
CID 65196383
1-[(2R)-2-ethyloxolan-2-yl]ethanone
CID 167251842
1-[(oxan-4-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436924
2-[(2-bromothiophen-3-yl)methyl]oxolane-2-carboxylic acid
CID 130648429
8-(oxan-4-ylmethyl)spiro[4.5]decan-8-ol
CID 114819637
1-(oxan-4-ylmethyl)cyclopropane-1-carbaldehyde
CID 130664231
1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 63711312
2-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 115103179

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethyl)oxolane-2-carboxylic acid?
The IUPAC name of 2-(oxan-4-ylmethyl)oxolane-2-carboxylic acid (CID 131026714) is 2-(oxan-4-ylmethyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 2-(oxan-4-ylmethyl)oxolane-2-carboxylic acid?
The canonical SMILES for 2-(oxan-4-ylmethyl)oxolane-2-carboxylic acid is O=C(O)C1(CC2CCOCC2)CCCO1.
What is the InChIKey of 2-(oxan-4-ylmethyl)oxolane-2-carboxylic acid?
The InChIKey is SHMLIPZNIMGJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c12-10(13)11(4-1-5-15-11)8-9-2-6-14-7-3-9/h9H,1-8H2,(H,12,13).
What are the key properties of 2-(oxan-4-ylmethyl)oxolane-2-carboxylic acid?
2-(oxan-4-ylmethyl)oxolane-2-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 131026714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).