6-(dimethoxymethyl)-4-hydroxyoxan-2-one

C8H14O5 — CID 22909990

IUPAC6-(dimethoxymethyl)-4-hydroxyoxan-2-one
SMILESCOC(OC)C1CC(O)CC(=O)O1
InChIInChI=1S/C8H14O5/c1-11-8(12-2)6-3-5(9)4-7(10)13-6/h5-6,8-9H,3-4H2,1-2H3
InChIKeyOAKWYIYTOAYNEE-UHFFFAOYSA-N
MW190.19 g/mol
LogP-0.33
Rot. Bonds3

About 6-(dimethoxymethyl)-4-hydroxyoxan-2-one

6-(dimethoxymethyl)-4-hydroxyoxan-2-one (PubChem CID 22909990) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is 6-(dimethoxymethyl)-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name6-(dimethoxymethyl)-4-hydroxyoxan-2-one
PubChem CID22909990
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name6-(dimethoxymethyl)-4-hydroxyoxan-2-one
SMILESCOC(OC)C1CC(O)CC(=O)O1
InChIInChI=1S/C8H14O5/c1-11-8(12-2)6-3-5(9)4-7(10)13-6/h5-6,8-9H,3-4H2,1-2H3
InChIKeyOAKWYIYTOAYNEE-UHFFFAOYSA-N
XLogP-0.33
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethoxymethyl)-4-hydroxyoxan-2-one?
The IUPAC name of 6-(dimethoxymethyl)-4-hydroxyoxan-2-one (CID 22909990) is 6-(dimethoxymethyl)-4-hydroxyoxan-2-one.
What is the SMILES notation for 6-(dimethoxymethyl)-4-hydroxyoxan-2-one?
The canonical SMILES for 6-(dimethoxymethyl)-4-hydroxyoxan-2-one is COC(OC)C1CC(O)CC(=O)O1.
What is the InChIKey of 6-(dimethoxymethyl)-4-hydroxyoxan-2-one?
The InChIKey is OAKWYIYTOAYNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-11-8(12-2)6-3-5(9)4-7(10)13-6/h5-6,8-9H,3-4H2,1-2H3.
What are the key properties of 6-(dimethoxymethyl)-4-hydroxyoxan-2-one?
6-(dimethoxymethyl)-4-hydroxyoxan-2-one has a molecular weight of 190.19 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethoxymethyl)-4-hydroxyoxan-2-one is sourced from PubChem (CID 22909990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).