2-(2,3-dihydro-1,4-dioxin-5-yl)acetic acid

C6H8O4 — CID 84648934

IUPAC2-(2,3-dihydro-1,4-dioxin-5-yl)acetic acid
SMILESO=C(O)CC1=COCCO1
InChIInChI=1S/C6H8O4/c7-6(8)3-5-4-9-1-2-10-5/h4H,1-3H2,(H,7,8)
InChIKeyXYWNBWOFBOSTAF-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.35
Rot. Bonds2

About 2-(2,3-dihydro-1,4-dioxin-5-yl)acetic acid

2-(2,3-dihydro-1,4-dioxin-5-yl)acetic acid (PubChem CID 84648934) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-dioxin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-dioxin-5-yl)acetic acid
PubChem CID84648934
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name2-(2,3-dihydro-1,4-dioxin-5-yl)acetic acid
SMILESO=C(O)CC1=COCCO1
InChIInChI=1S/C6H8O4/c7-6(8)3-5-4-9-1-2-10-5/h4H,1-3H2,(H,7,8)
InChIKeyXYWNBWOFBOSTAF-UHFFFAOYSA-N
XLogP0.35
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-dioxin-5-yl)acetic acid?
The IUPAC name of 2-(2,3-dihydro-1,4-dioxin-5-yl)acetic acid (CID 84648934) is 2-(2,3-dihydro-1,4-dioxin-5-yl)acetic acid.
What is the SMILES notation for 2-(2,3-dihydro-1,4-dioxin-5-yl)acetic acid?
The canonical SMILES for 2-(2,3-dihydro-1,4-dioxin-5-yl)acetic acid is O=C(O)CC1=COCCO1.
What is the InChIKey of 2-(2,3-dihydro-1,4-dioxin-5-yl)acetic acid?
The InChIKey is XYWNBWOFBOSTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c7-6(8)3-5-4-9-1-2-10-5/h4H,1-3H2,(H,7,8).
What are the key properties of 2-(2,3-dihydro-1,4-dioxin-5-yl)acetic acid?
2-(2,3-dihydro-1,4-dioxin-5-yl)acetic acid has a molecular weight of 144.13 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-dioxin-5-yl)acetic acid is sourced from PubChem (CID 84648934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).