1-hydroxy-4-methylbicyclo[2.2.2]oct-2-ene-2-carboxylic acid

C10H14O3 — CID 10773768

IUPAC1-hydroxy-4-methylbicyclo[2.2.2]oct-2-ene-2-carboxylic acid
SMILESCC12C=C(C(=O)O)C(O)(CC1)CC2
InChIInChI=1S/C10H14O3/c1-9-2-4-10(13,5-3-9)7(6-9)8(11)12/h6,13H,2-5H2,1H3,(H,11,12)
InChIKeyIMTWZLHCQVCWFN-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.32
Rot. Bonds1

About 1-hydroxy-4-methylbicyclo[2.2.2]oct-2-ene-2-carboxylic acid

1-hydroxy-4-methylbicyclo[2.2.2]oct-2-ene-2-carboxylic acid (PubChem CID 10773768) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-hydroxy-4-methylbicyclo[2.2.2]oct-2-ene-2-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-4-methylbicyclo[2.2.2]oct-2-ene-2-carboxylic acid
PubChem CID10773768
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1-hydroxy-4-methylbicyclo[2.2.2]oct-2-ene-2-carboxylic acid
SMILESCC12C=C(C(=O)O)C(O)(CC1)CC2
InChIInChI=1S/C10H14O3/c1-9-2-4-10(13,5-3-9)7(6-9)8(11)12/h6,13H,2-5H2,1H3,(H,11,12)
InChIKeyIMTWZLHCQVCWFN-UHFFFAOYSA-N
XLogP1.32
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-methylbicyclo[2.2.2]oct-2-ene-2-carboxylic acid?
The IUPAC name of 1-hydroxy-4-methylbicyclo[2.2.2]oct-2-ene-2-carboxylic acid (CID 10773768) is 1-hydroxy-4-methylbicyclo[2.2.2]oct-2-ene-2-carboxylic acid.
What is the SMILES notation for 1-hydroxy-4-methylbicyclo[2.2.2]oct-2-ene-2-carboxylic acid?
The canonical SMILES for 1-hydroxy-4-methylbicyclo[2.2.2]oct-2-ene-2-carboxylic acid is CC12C=C(C(=O)O)C(O)(CC1)CC2.
What is the InChIKey of 1-hydroxy-4-methylbicyclo[2.2.2]oct-2-ene-2-carboxylic acid?
The InChIKey is IMTWZLHCQVCWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-9-2-4-10(13,5-3-9)7(6-9)8(11)12/h6,13H,2-5H2,1H3,(H,11,12).
What are the key properties of 1-hydroxy-4-methylbicyclo[2.2.2]oct-2-ene-2-carboxylic acid?
1-hydroxy-4-methylbicyclo[2.2.2]oct-2-ene-2-carboxylic acid has a molecular weight of 182.22 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-methylbicyclo[2.2.2]oct-2-ene-2-carboxylic acid is sourced from PubChem (CID 10773768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).