2-acetyloxy-1,4-dioxane-2-carboxylic acid

C7H10O6 — CID 175607974

IUPAC2-acetyloxy-1,4-dioxane-2-carboxylic acid
SMILESCC(=O)OC1(C(=O)O)COCCO1
InChIInChI=1S/C7H10O6/c1-5(8)13-7(6(9)10)4-11-2-3-12-7/h2-4H2,1H3,(H,9,10)
InChIKeyRGEOQLFLPHSTHQ-UHFFFAOYSA-N
MW190.15 g/mol
LogP-0.62
Rot. Bonds2

About 2-acetyloxy-1,4-dioxane-2-carboxylic acid

2-acetyloxy-1,4-dioxane-2-carboxylic acid (PubChem CID 175607974) has the molecular formula C7H10O6 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-acetyloxy-1,4-dioxane-2-carboxylic acid.

Molecular Properties

Compound Name2-acetyloxy-1,4-dioxane-2-carboxylic acid
PubChem CID175607974
Molecular FormulaC7H10O6
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Name2-acetyloxy-1,4-dioxane-2-carboxylic acid
SMILESCC(=O)OC1(C(=O)O)COCCO1
InChIInChI=1S/C7H10O6/c1-5(8)13-7(6(9)10)4-11-2-3-12-7/h2-4H2,1H3,(H,9,10)
InChIKeyRGEOQLFLPHSTHQ-UHFFFAOYSA-N
XLogP-0.62
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-diamino-1,4,7,10,13,16-hexaoxacyclooctadecane-2,3-dicarboxylic acid
CID 19822395
2-carbamoyl-1,4-dioxane-2-carboxylic acid
CID 175257803
(2,2,5-trimethyl-1,3-dioxan-5-yl) acetate
CID 143439186
(2-methyl-1,4-dioxan-2-yl) prop-2-enoate
CID 58183630
sodium;acetic acid;hydride;oxirane
CID 173167561
2,5-diethoxy-1,4-dioxane-2,5-dicarboxylic acid
CID 66981661
1,4-dioxane;propan-2-one
CID 22407776
(2-methyl-1,4-dioxan-2-yl) 3-chloropropanoate
CID 59638200
3,5,7-triacetyloxyadamantane-1-carboxylic acid
CID 22463612
[(1R)-18-oxo-3,6,9,12-tetraoxabicyclo[12.3.1]octadeca-14,16-dien-1-yl] acetate
CID 102426561
(1-methylcyclobutyl) acetate
CID 13396130
14-tert-butyl-1,4,7,10,13-pentaoxacyclohexadecane-14-carboxylic acid
CID 23297351

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxy-1,4-dioxane-2-carboxylic acid?
The IUPAC name of 2-acetyloxy-1,4-dioxane-2-carboxylic acid (CID 175607974) is 2-acetyloxy-1,4-dioxane-2-carboxylic acid.
What is the SMILES notation for 2-acetyloxy-1,4-dioxane-2-carboxylic acid?
The canonical SMILES for 2-acetyloxy-1,4-dioxane-2-carboxylic acid is CC(=O)OC1(C(=O)O)COCCO1.
What is the InChIKey of 2-acetyloxy-1,4-dioxane-2-carboxylic acid?
The InChIKey is RGEOQLFLPHSTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O6/c1-5(8)13-7(6(9)10)4-11-2-3-12-7/h2-4H2,1H3,(H,9,10).
What are the key properties of 2-acetyloxy-1,4-dioxane-2-carboxylic acid?
2-acetyloxy-1,4-dioxane-2-carboxylic acid has a molecular weight of 190.15 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxy-1,4-dioxane-2-carboxylic acid is sourced from PubChem (CID 175607974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).