2-(4-methoxyoxan-4-yl)acetic acid

C8H14O4 — CID 84654866

IUPAC2-(4-methoxyoxan-4-yl)acetic acid
SMILESCOC1(CC(=O)O)CCOCC1
InChIInChI=1S/C8H14O4/c1-11-8(6-7(9)10)2-4-12-5-3-8/h2-6H2,1H3,(H,9,10)
InChIKeyMTKZYNRRGYUHKF-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.66
Rot. Bonds3

About 2-(4-methoxyoxan-4-yl)acetic acid

2-(4-methoxyoxan-4-yl)acetic acid (PubChem CID 84654866) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(4-methoxyoxan-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methoxyoxan-4-yl)acetic acid
PubChem CID84654866
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-(4-methoxyoxan-4-yl)acetic acid
SMILESCOC1(CC(=O)O)CCOCC1
InChIInChI=1S/C8H14O4/c1-11-8(6-7(9)10)2-4-12-5-3-8/h2-6H2,1H3,(H,9,10)
InChIKeyMTKZYNRRGYUHKF-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxyoxolan-3-yl)acetic acid
CID 105435742
2-(3-methoxyazetidin-3-yl)acetic acid
CID 105428756
2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)acetic acid
CID 105468786
(4-methoxyoxan-4-yl)methanethiol
CID 155822581
2-(4-methoxyoxan-4-yl)acetaldehyde
CID 105430923
2-(3-ethoxyoxan-3-yl)acetic acid
CID 105443019
4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid
CID 116774915
2-(4-methylsulfanyloxan-4-yl)acetic acid
CID 84662783
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid
CID 104764175
5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid
CID 104759098
2-[4-(2-methylpropyl)oxan-4-yl]acetic acid
CID 83819264
4-[(3-methoxyoxolan-3-yl)methylamino]pentanoic acid
CID 104759780

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyoxan-4-yl)acetic acid?
The IUPAC name of 2-(4-methoxyoxan-4-yl)acetic acid (CID 84654866) is 2-(4-methoxyoxan-4-yl)acetic acid.
What is the SMILES notation for 2-(4-methoxyoxan-4-yl)acetic acid?
The canonical SMILES for 2-(4-methoxyoxan-4-yl)acetic acid is COC1(CC(=O)O)CCOCC1.
What is the InChIKey of 2-(4-methoxyoxan-4-yl)acetic acid?
The InChIKey is MTKZYNRRGYUHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-11-8(6-7(9)10)2-4-12-5-3-8/h2-6H2,1H3,(H,9,10).
What are the key properties of 2-(4-methoxyoxan-4-yl)acetic acid?
2-(4-methoxyoxan-4-yl)acetic acid has a molecular weight of 174.20 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyoxan-4-yl)acetic acid is sourced from PubChem (CID 84654866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).