3-(oxan-2-yloxy)butanoic acid

C9H16O4 — CID 14279636

IUPAC3-(oxan-2-yloxy)butanoic acid
SMILESCC(CC(=O)O)OC1CCCCO1
InChIInChI=1S/C9H16O4/c1-7(6-8(10)11)13-9-4-2-3-5-12-9/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyLAZQYSZQZXJNLM-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.39
Rot. Bonds4

About 3-(oxan-2-yloxy)butanoic acid

3-(oxan-2-yloxy)butanoic acid (PubChem CID 14279636) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 3-(oxan-2-yloxy)butanoic acid.

Molecular Properties

Compound Name3-(oxan-2-yloxy)butanoic acid
PubChem CID14279636
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name3-(oxan-2-yloxy)butanoic acid
SMILESCC(CC(=O)O)OC1CCCCO1
InChIInChI=1S/C9H16O4/c1-7(6-8(10)11)13-9-4-2-3-5-12-9/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyLAZQYSZQZXJNLM-UHFFFAOYSA-N
XLogP1.39
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-2-yloxy)propanoic acid
CID 542280
ethyl 5-(oxan-2-yloxy)-3-oxohexanoate
CID 14279639
2-butan-2-yloxyoxane
CID 559028
1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol
CID 169284168
(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404
methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate
CID 11746035
(E)-7-(oxan-2-yloxy)-4-oxooct-2-enoic acid
CID 10634810
[(2R,3S)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid
CID 90284220
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
(3R)-1-chloro-3-(oxan-2-yloxy)butan-2-one
CID 11506704
(2S)-2-amino-3-[(3R)-3-(oxan-2-yloxy)butoxy]propanoic acid
CID 154928929
2-(oxan-2-yloxy)propylhydrazine
CID 175028715

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yloxy)butanoic acid?
The IUPAC name of 3-(oxan-2-yloxy)butanoic acid (CID 14279636) is 3-(oxan-2-yloxy)butanoic acid.
What is the SMILES notation for 3-(oxan-2-yloxy)butanoic acid?
The canonical SMILES for 3-(oxan-2-yloxy)butanoic acid is CC(CC(=O)O)OC1CCCCO1.
What is the InChIKey of 3-(oxan-2-yloxy)butanoic acid?
The InChIKey is LAZQYSZQZXJNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-7(6-8(10)11)13-9-4-2-3-5-12-9/h7,9H,2-6H2,1H3,(H,10,11).
What are the key properties of 3-(oxan-2-yloxy)butanoic acid?
3-(oxan-2-yloxy)butanoic acid has a molecular weight of 188.22 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yloxy)butanoic acid is sourced from PubChem (CID 14279636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).