1-(methoxymethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid

C10H16O4 — CID 154856938

IUPAC1-(methoxymethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid
SMILESCOCC12CCC(C(=O)O)(CC1)CO2
InChIInChI=1S/C10H16O4/c1-13-7-10-4-2-9(3-5-10,6-14-10)8(11)12/h2-7H2,1H3,(H,11,12)
InChIKeyYCYLXOOJTUHEMH-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.05
Rot. Bonds3

About 1-(methoxymethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid

1-(methoxymethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid (PubChem CID 154856938) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-(methoxymethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid.

Molecular Properties

Compound Name1-(methoxymethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid
PubChem CID154856938
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-(methoxymethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid
SMILESCOCC12CCC(C(=O)O)(CC1)CO2
InChIInChI=1S/C10H16O4/c1-13-7-10-4-2-9(3-5-10,6-14-10)8(11)12/h2-7H2,1H3,(H,11,12)
InChIKeyYCYLXOOJTUHEMH-UHFFFAOYSA-N
XLogP1.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid?
The IUPAC name of 1-(methoxymethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid (CID 154856938) is 1-(methoxymethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid.
What is the SMILES notation for 1-(methoxymethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid?
The canonical SMILES for 1-(methoxymethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid is COCC12CCC(C(=O)O)(CC1)CO2.
What is the InChIKey of 1-(methoxymethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid?
The InChIKey is YCYLXOOJTUHEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-13-7-10-4-2-9(3-5-10,6-14-10)8(11)12/h2-7H2,1H3,(H,11,12).
What are the key properties of 1-(methoxymethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid?
1-(methoxymethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid has a molecular weight of 200.23 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid is sourced from PubChem (CID 154856938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).