8-oxabicyclo[3.2.1]octane-2-carboxylic acid

C8H12O3 — CID 21017960

IUPAC8-oxabicyclo[3.2.1]octane-2-carboxylic acid
SMILESO=C(O)C1CCC2CCC1O2
InChIInChI=1S/C8H12O3/c9-8(10)6-3-1-5-2-4-7(6)11-5/h5-7H,1-4H2,(H,9,10)
InChIKeyNSNRGOHLAHURBS-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.03
Rot. Bonds1

About 8-oxabicyclo[3.2.1]octane-2-carboxylic acid

8-oxabicyclo[3.2.1]octane-2-carboxylic acid (PubChem CID 21017960) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 8-oxabicyclo[3.2.1]octane-2-carboxylic acid.

Molecular Properties

Compound Name8-oxabicyclo[3.2.1]octane-2-carboxylic acid
PubChem CID21017960
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name8-oxabicyclo[3.2.1]octane-2-carboxylic acid
SMILESO=C(O)C1CCC2CCC1O2
InChIInChI=1S/C8H12O3/c9-8(10)6-3-1-5-2-4-7(6)11-5/h5-7H,1-4H2,(H,9,10)
InChIKeyNSNRGOHLAHURBS-UHFFFAOYSA-N
XLogP1.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-oxabicyclo[3.2.1]octane-2-carboxylic acid?
The IUPAC name of 8-oxabicyclo[3.2.1]octane-2-carboxylic acid (CID 21017960) is 8-oxabicyclo[3.2.1]octane-2-carboxylic acid.
What is the SMILES notation for 8-oxabicyclo[3.2.1]octane-2-carboxylic acid?
The canonical SMILES for 8-oxabicyclo[3.2.1]octane-2-carboxylic acid is O=C(O)C1CCC2CCC1O2.
What is the InChIKey of 8-oxabicyclo[3.2.1]octane-2-carboxylic acid?
The InChIKey is NSNRGOHLAHURBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c9-8(10)6-3-1-5-2-4-7(6)11-5/h5-7H,1-4H2,(H,9,10).
What are the key properties of 8-oxabicyclo[3.2.1]octane-2-carboxylic acid?
8-oxabicyclo[3.2.1]octane-2-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxabicyclo[3.2.1]octane-2-carboxylic acid is sourced from PubChem (CID 21017960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).