8-hydroxybicyclo[3.2.1]oct-3-ene-1-carboxylic acid

C9H12O3 — CID 134845358

IUPAC8-hydroxybicyclo[3.2.1]oct-3-ene-1-carboxylic acid
SMILESO=C(O)C12CC=CC(CC1)C2O
InChIInChI=1S/C9H12O3/c10-7-6-2-1-4-9(7,5-3-6)8(11)12/h1-2,6-7,10H,3-5H2,(H,11,12)
InChIKeyAXSGUDDBDRUNED-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.79
Rot. Bonds1

About 8-hydroxybicyclo[3.2.1]oct-3-ene-1-carboxylic acid

8-hydroxybicyclo[3.2.1]oct-3-ene-1-carboxylic acid (PubChem CID 134845358) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 8-hydroxybicyclo[3.2.1]oct-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name8-hydroxybicyclo[3.2.1]oct-3-ene-1-carboxylic acid
PubChem CID134845358
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name8-hydroxybicyclo[3.2.1]oct-3-ene-1-carboxylic acid
SMILESO=C(O)C12CC=CC(CC1)C2O
InChIInChI=1S/C9H12O3/c10-7-6-2-1-4-9(7,5-3-6)8(11)12/h1-2,6-7,10H,3-5H2,(H,11,12)
InChIKeyAXSGUDDBDRUNED-UHFFFAOYSA-N
XLogP0.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (1R,2R,3S)-2-hydroxy-1-(4-methylpent-3-enyl)-3-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 24808685
ethyl (1R)-2-hydroxy-1-(4-methylpent-3-enyl)-3-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 134940812
methyl (1S,2R,4S)-2-(1-hydroxypropyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 134980156
methyl (1S,2S,4S)-2-(1-hydroxypropyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 134991835
ethyl (1S,2R,3S)-2-hydroxy-1-(4-methylpent-3-enyl)-3-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 135054557
2-(1-Hydroxyethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 548792
8-Oxobicyclo[3.2.1]oct-2-ene-1-carboxylic acid
CID 18454816
5-(2-Bicyclo[2.2.1]hept-5-enyl)-3-hydroxypentanoic acid
CID 22456924
3-{Bicyclo[2.2.1]hept-5-en-2-yl}-3-hydroxypropanoic acid
CID 22620605
3-Hydroxy-2,2-dimethyl-4-propylhept-5-enoic acid
CID 54006692
Methyl 2-(hydroxymethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 59557493
(1R,5R)-8-oxobicyclo[3.2.1]oct-2-ene-1-carboxylic acid
CID 69523148

Frequently Asked Questions

What is the IUPAC name of 8-hydroxybicyclo[3.2.1]oct-3-ene-1-carboxylic acid?
The IUPAC name of 8-hydroxybicyclo[3.2.1]oct-3-ene-1-carboxylic acid (CID 134845358) is 8-hydroxybicyclo[3.2.1]oct-3-ene-1-carboxylic acid.
What is the SMILES notation for 8-hydroxybicyclo[3.2.1]oct-3-ene-1-carboxylic acid?
The canonical SMILES for 8-hydroxybicyclo[3.2.1]oct-3-ene-1-carboxylic acid is O=C(O)C12CC=CC(CC1)C2O.
What is the InChIKey of 8-hydroxybicyclo[3.2.1]oct-3-ene-1-carboxylic acid?
The InChIKey is AXSGUDDBDRUNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c10-7-6-2-1-4-9(7,5-3-6)8(11)12/h1-2,6-7,10H,3-5H2,(H,11,12).
What are the key properties of 8-hydroxybicyclo[3.2.1]oct-3-ene-1-carboxylic acid?
8-hydroxybicyclo[3.2.1]oct-3-ene-1-carboxylic acid has a molecular weight of 168.19 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxybicyclo[3.2.1]oct-3-ene-1-carboxylic acid is sourced from PubChem (CID 134845358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).