8-hydroxytricyclo[3.2.1.02,4]octane-6-carboxylic acid

C9H12O3 — CID 166523956

IUPAC8-hydroxytricyclo[3.2.1.02,4]octane-6-carboxylic acid
SMILESO=C(O)C1CC2C(O)C1C1CC21
InChIInChI=1S/C9H12O3/c10-8-5-2-6(9(11)12)7(8)4-1-3(4)5/h3-8,10H,1-2H2,(H,11,12)
InChIKeyUVFZYWOMUMOMPF-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.33
Rot. Bonds1

About 8-hydroxytricyclo[3.2.1.02,4]octane-6-carboxylic acid

8-hydroxytricyclo[3.2.1.02,4]octane-6-carboxylic acid (PubChem CID 166523956) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 8-hydroxytricyclo[3.2.1.02,4]octane-6-carboxylic acid.

Molecular Properties

Compound Name8-hydroxytricyclo[3.2.1.02,4]octane-6-carboxylic acid
PubChem CID166523956
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name8-hydroxytricyclo[3.2.1.02,4]octane-6-carboxylic acid
SMILESO=C(O)C1CC2C(O)C1C1CC21
InChIInChI=1S/C9H12O3/c10-8-5-2-6(9(11)12)7(8)4-1-3(4)5/h3-8,10H,1-2H2,(H,11,12)
InChIKeyUVFZYWOMUMOMPF-UHFFFAOYSA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydroxycyclobutane-1-carboxylic acid
CID 174933453
4-hydroxy-3-oxatricyclo[3.3.0.02,8]octane-6-carboxylic acid
CID 130305872
4-hydroxybicyclo[1.1.1]pentane-2-carboxylic acid
CID 171036181
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
(1S,4R)-bicyclo[2.1.0]pentane-2,3-diol
CID 101126936
(1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid
CID 68905410
5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylic acid
CID 69029104
(1S,2R,3S,5R,6R,8R,9R,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4-carboxylic acid
CID 98126025
(1R,2R,3S,5R,6R,8R,9R,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4-carboxylic acid
CID 98126024
(1S,2R,3R)-2,3-dihydroxycyclopentane-1-carboxylic acid
CID 45084677
(2S,3R,5R,6S)-tricyclo[2.2.1.02,6]heptane-3,5-diol
CID 124541002

Frequently Asked Questions

What is the IUPAC name of 8-hydroxytricyclo[3.2.1.02,4]octane-6-carboxylic acid?
The IUPAC name of 8-hydroxytricyclo[3.2.1.02,4]octane-6-carboxylic acid (CID 166523956) is 8-hydroxytricyclo[3.2.1.02,4]octane-6-carboxylic acid.
What is the SMILES notation for 8-hydroxytricyclo[3.2.1.02,4]octane-6-carboxylic acid?
The canonical SMILES for 8-hydroxytricyclo[3.2.1.02,4]octane-6-carboxylic acid is O=C(O)C1CC2C(O)C1C1CC21.
What is the InChIKey of 8-hydroxytricyclo[3.2.1.02,4]octane-6-carboxylic acid?
The InChIKey is UVFZYWOMUMOMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c10-8-5-2-6(9(11)12)7(8)4-1-3(4)5/h3-8,10H,1-2H2,(H,11,12).
What are the key properties of 8-hydroxytricyclo[3.2.1.02,4]octane-6-carboxylic acid?
8-hydroxytricyclo[3.2.1.02,4]octane-6-carboxylic acid has a molecular weight of 168.19 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxytricyclo[3.2.1.02,4]octane-6-carboxylic acid is sourced from PubChem (CID 166523956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).