2-[6-(methoxymethyl)-2,5-dimethyloxan-3-yl]oxyacetic acid

C11H20O5 — CID 166081968

IUPAC2-[6-(methoxymethyl)-2,5-dimethyloxan-3-yl]oxyacetic acid
SMILESCOCC1OC(C)C(OCC(=O)O)CC1C
InChIInChI=1S/C11H20O5/c1-7-4-9(15-6-11(12)13)8(2)16-10(7)5-14-3/h7-10H,4-6H2,1-3H3,(H,12,13)
InChIKeyNEQHMYPVWFNIRL-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.92
Rot. Bonds5

About 2-[6-(methoxymethyl)-2,5-dimethyloxan-3-yl]oxyacetic acid

2-[6-(methoxymethyl)-2,5-dimethyloxan-3-yl]oxyacetic acid (PubChem CID 166081968) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[6-(methoxymethyl)-2,5-dimethyloxan-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[6-(methoxymethyl)-2,5-dimethyloxan-3-yl]oxyacetic acid
PubChem CID166081968
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name2-[6-(methoxymethyl)-2,5-dimethyloxan-3-yl]oxyacetic acid
SMILESCOCC1OC(C)C(OCC(=O)O)CC1C
InChIInChI=1S/C11H20O5/c1-7-4-9(15-6-11(12)13)8(2)16-10(7)5-14-3/h7-10H,4-6H2,1-3H3,(H,12,13)
InChIKeyNEQHMYPVWFNIRL-UHFFFAOYSA-N
XLogP0.92
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(methoxymethyl)-2,5-dimethyloxan-3-yl]oxyacetic acid?
The IUPAC name of 2-[6-(methoxymethyl)-2,5-dimethyloxan-3-yl]oxyacetic acid (CID 166081968) is 2-[6-(methoxymethyl)-2,5-dimethyloxan-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[6-(methoxymethyl)-2,5-dimethyloxan-3-yl]oxyacetic acid?
The canonical SMILES for 2-[6-(methoxymethyl)-2,5-dimethyloxan-3-yl]oxyacetic acid is COCC1OC(C)C(OCC(=O)O)CC1C.
What is the InChIKey of 2-[6-(methoxymethyl)-2,5-dimethyloxan-3-yl]oxyacetic acid?
The InChIKey is NEQHMYPVWFNIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-7-4-9(15-6-11(12)13)8(2)16-10(7)5-14-3/h7-10H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-[6-(methoxymethyl)-2,5-dimethyloxan-3-yl]oxyacetic acid?
2-[6-(methoxymethyl)-2,5-dimethyloxan-3-yl]oxyacetic acid has a molecular weight of 232.28 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methoxymethyl)-2,5-dimethyloxan-3-yl]oxyacetic acid is sourced from PubChem (CID 166081968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).