1,4-dioxan-2-one;2-hydroxyacetic acid

C6H10O6 — CID 67941331

IUPAC1,4-dioxan-2-one;2-hydroxyacetic acid
SMILESO=C(O)CO.O=C1COCCO1
InChIInChI=1S/C4H6O3.C2H4O3/c5-4-3-6-1-2-7-4;3-1-2(4)5/h1-3H2;3H,1H2,(H,4,5)
InChIKeyRKSRBZZAPDCODP-UHFFFAOYSA-N
MW178.14 g/mol
LogP-1.38
Rot. Bonds1

About 1,4-dioxan-2-one;2-hydroxyacetic acid

1,4-dioxan-2-one;2-hydroxyacetic acid (PubChem CID 67941331) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is 1,4-dioxan-2-one;2-hydroxyacetic acid.

Molecular Properties

Compound Name1,4-dioxan-2-one;2-hydroxyacetic acid
PubChem CID67941331
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Name1,4-dioxan-2-one;2-hydroxyacetic acid
SMILESO=C(O)CO.O=C1COCCO1
InChIInChI=1S/C4H6O3.C2H4O3/c5-4-3-6-1-2-7-4;3-1-2(4)5/h1-3H2;3H,1H2,(H,4,5)
InChIKeyRKSRBZZAPDCODP-UHFFFAOYSA-N
XLogP-1.38
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-one;2-hydroxyacetic acid?
The IUPAC name of 1,4-dioxan-2-one;2-hydroxyacetic acid (CID 67941331) is 1,4-dioxan-2-one;2-hydroxyacetic acid.
What is the SMILES notation for 1,4-dioxan-2-one;2-hydroxyacetic acid?
The canonical SMILES for 1,4-dioxan-2-one;2-hydroxyacetic acid is O=C(O)CO.O=C1COCCO1.
What is the InChIKey of 1,4-dioxan-2-one;2-hydroxyacetic acid?
The InChIKey is RKSRBZZAPDCODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.C2H4O3/c5-4-3-6-1-2-7-4;3-1-2(4)5/h1-3H2;3H,1H2,(H,4,5).
What are the key properties of 1,4-dioxan-2-one;2-hydroxyacetic acid?
1,4-dioxan-2-one;2-hydroxyacetic acid has a molecular weight of 178.14 g/mol, XLogP of -1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-one;2-hydroxyacetic acid is sourced from PubChem (CID 67941331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).