2-(oxan-2-yloxy)propanoic acid

C8H14O4 — CID 542280

IUPAC2-(oxan-2-yloxy)propanoic acid
SMILESCC(OC1CCCCO1)C(=O)O
InChIInChI=1S/C8H14O4/c1-6(8(9)10)12-7-4-2-3-5-11-7/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyCEFRORNCZFPJCT-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.00
Rot. Bonds3

About 2-(oxan-2-yloxy)propanoic acid

2-(oxan-2-yloxy)propanoic acid (PubChem CID 542280) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(oxan-2-yloxy)propanoic acid.

Molecular Properties

Compound Name2-(oxan-2-yloxy)propanoic acid
PubChem CID542280
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-(oxan-2-yloxy)propanoic acid
SMILESCC(OC1CCCCO1)C(=O)O
InChIInChI=1S/C8H14O4/c1-6(8(9)10)12-7-4-2-3-5-11-7/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyCEFRORNCZFPJCT-UHFFFAOYSA-N
XLogP1.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-5-(oxan-2-yloxy)-4-oxohex-2-enoic acid
CID 10823217
(3R)-1-chloro-3-(oxan-2-yloxy)butan-2-one
CID 11506704
3-(oxan-2-yloxy)butanoic acid
CID 14279636
(2R)-1-morpholin-4-yl-2-[(2R)-oxan-2-yl]oxypropan-1-one
CID 92982714
2-[(2R)-oxan-2-yl]oxyhexanoic acid
CID 101196631
(E,4R,5R)-4,6-dimethyl-5-(oxan-2-yloxy)hept-2-enoic acid
CID 10491305
[(2R,3S)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid
CID 90284220
(2S)-2-amino-3-[(3R)-3-(oxan-2-yloxy)butoxy]propanoic acid
CID 154928929
1-(2,5-difluorophenyl)-2-[(2R)-oxan-2-yl]oxypropan-1-one
CID 118421064
1-(2,5-difluorophenyl)-2-(oxan-2-yloxy)propan-1-one
CID 16662814
(E)-7-(oxan-2-yloxy)-4-oxooct-2-enoic acid
CID 10634810
2-butan-2-yloxyoxane
CID 559028

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yloxy)propanoic acid?
The IUPAC name of 2-(oxan-2-yloxy)propanoic acid (CID 542280) is 2-(oxan-2-yloxy)propanoic acid.
What is the SMILES notation for 2-(oxan-2-yloxy)propanoic acid?
The canonical SMILES for 2-(oxan-2-yloxy)propanoic acid is CC(OC1CCCCO1)C(=O)O.
What is the InChIKey of 2-(oxan-2-yloxy)propanoic acid?
The InChIKey is CEFRORNCZFPJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-6(8(9)10)12-7-4-2-3-5-11-7/h6-7H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-(oxan-2-yloxy)propanoic acid?
2-(oxan-2-yloxy)propanoic acid has a molecular weight of 174.20 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yloxy)propanoic acid is sourced from PubChem (CID 542280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).