4-(oxan-2-ylmethoxy)oxane-4-carboxylic acid

C12H20O5 — CID 114994237

IUPAC4-(oxan-2-ylmethoxy)oxane-4-carboxylic acid
SMILESO=C(O)C1(OCC2CCCCO2)CCOCC1
InChIInChI=1S/C12H20O5/c13-11(14)12(4-7-15-8-5-12)17-9-10-3-1-2-6-16-10/h10H,1-9H2,(H,13,14)
InChIKeyXIQILXSZJGJTAT-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.21
Rot. Bonds4

About 4-(oxan-2-ylmethoxy)oxane-4-carboxylic acid

4-(oxan-2-ylmethoxy)oxane-4-carboxylic acid (PubChem CID 114994237) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(oxan-2-ylmethoxy)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(oxan-2-ylmethoxy)oxane-4-carboxylic acid
PubChem CID114994237
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name4-(oxan-2-ylmethoxy)oxane-4-carboxylic acid
SMILESO=C(O)C1(OCC2CCCCO2)CCOCC1
InChIInChI=1S/C12H20O5/c13-11(14)12(4-7-15-8-5-12)17-9-10-3-1-2-6-16-10/h10H,1-9H2,(H,13,14)
InChIKeyXIQILXSZJGJTAT-UHFFFAOYSA-N
XLogP1.21
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-4-(oxan-2-ylmethoxy)oxane
CID 114772655
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
oxolan-2-ylmethyl 4-(aminomethyl)oxane-4-carboxylate
CID 113310259
2-oxo-2-(oxolan-2-ylmethoxy)acetic acid
CID 154107225
oxan-2-ylmethyl 2-cyclopentylacetate
CID 78788812
1-[[2-(oxan-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158596
1-(methylamino)-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carboxylic acid
CID 79581156
oxan-2-ylmethyl 2-(1-aminocyclopentyl)acetate
CID 64700220
2-methyl-2-(oxan-2-ylmethoxy)propanoic acid
CID 82238709
3-(oxan-2-ylmethoxy)propanamide
CID 22444989
2-[[1-(iodomethyl)cyclohexyl]oxymethyl]oxane
CID 114772663
4-cyclobutyloxyoxane-4-carboxylic acid
CID 82237407

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-ylmethoxy)oxane-4-carboxylic acid?
The IUPAC name of 4-(oxan-2-ylmethoxy)oxane-4-carboxylic acid (CID 114994237) is 4-(oxan-2-ylmethoxy)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(oxan-2-ylmethoxy)oxane-4-carboxylic acid?
The canonical SMILES for 4-(oxan-2-ylmethoxy)oxane-4-carboxylic acid is O=C(O)C1(OCC2CCCCO2)CCOCC1.
What is the InChIKey of 4-(oxan-2-ylmethoxy)oxane-4-carboxylic acid?
The InChIKey is XIQILXSZJGJTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c13-11(14)12(4-7-15-8-5-12)17-9-10-3-1-2-6-16-10/h10H,1-9H2,(H,13,14).
What are the key properties of 4-(oxan-2-ylmethoxy)oxane-4-carboxylic acid?
4-(oxan-2-ylmethoxy)oxane-4-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-ylmethoxy)oxane-4-carboxylic acid is sourced from PubChem (CID 114994237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).