6-methyl-2-oxabicyclo[2.2.1]hept-4-ene-5-carboxylic acid

C8H10O3 — CID 69031054

IUPAC6-methyl-2-oxabicyclo[2.2.1]hept-4-ene-5-carboxylic acid
SMILESCC1C(C(=O)O)=C2COC1C2
InChIInChI=1S/C8H10O3/c1-4-6-2-5(3-11-6)7(4)8(9)10/h4,6H,2-3H2,1H3,(H,9,10)
InChIKeyYWGFGAMSXTUMMG-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.81
Rot. Bonds1

About 6-methyl-2-oxabicyclo[2.2.1]hept-4-ene-5-carboxylic acid

6-methyl-2-oxabicyclo[2.2.1]hept-4-ene-5-carboxylic acid (PubChem CID 69031054) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 6-methyl-2-oxabicyclo[2.2.1]hept-4-ene-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-oxabicyclo[2.2.1]hept-4-ene-5-carboxylic acid
PubChem CID69031054
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name6-methyl-2-oxabicyclo[2.2.1]hept-4-ene-5-carboxylic acid
SMILESCC1C(C(=O)O)=C2COC1C2
InChIInChI=1S/C8H10O3/c1-4-6-2-5(3-11-6)7(4)8(9)10/h4,6H,2-3H2,1H3,(H,9,10)
InChIKeyYWGFGAMSXTUMMG-UHFFFAOYSA-N
XLogP0.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxabicyclo[2.2.1]hept-4-ene-5-carboxylic acid?
The IUPAC name of 6-methyl-2-oxabicyclo[2.2.1]hept-4-ene-5-carboxylic acid (CID 69031054) is 6-methyl-2-oxabicyclo[2.2.1]hept-4-ene-5-carboxylic acid.
What is the SMILES notation for 6-methyl-2-oxabicyclo[2.2.1]hept-4-ene-5-carboxylic acid?
The canonical SMILES for 6-methyl-2-oxabicyclo[2.2.1]hept-4-ene-5-carboxylic acid is CC1C(C(=O)O)=C2COC1C2.
What is the InChIKey of 6-methyl-2-oxabicyclo[2.2.1]hept-4-ene-5-carboxylic acid?
The InChIKey is YWGFGAMSXTUMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-4-6-2-5(3-11-6)7(4)8(9)10/h4,6H,2-3H2,1H3,(H,9,10).
What are the key properties of 6-methyl-2-oxabicyclo[2.2.1]hept-4-ene-5-carboxylic acid?
6-methyl-2-oxabicyclo[2.2.1]hept-4-ene-5-carboxylic acid has a molecular weight of 154.16 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxabicyclo[2.2.1]hept-4-ene-5-carboxylic acid is sourced from PubChem (CID 69031054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).