3-hydroxy-3-methylbicyclo[3.3.1]nonane-1-carboxylic acid

C11H18O3 — CID 130311004

IUPAC3-hydroxy-3-methylbicyclo[3.3.1]nonane-1-carboxylic acid
SMILESCC1(O)CC2CCCC(C(=O)O)(C2)C1
InChIInChI=1S/C11H18O3/c1-10(14)5-8-3-2-4-11(6-8,7-10)9(12)13/h8,14H,2-7H2,1H3,(H,12,13)
InChIKeyRYKZOBZBHFRIRX-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.79
Rot. Bonds1

About 3-hydroxy-3-methylbicyclo[3.3.1]nonane-1-carboxylic acid

3-hydroxy-3-methylbicyclo[3.3.1]nonane-1-carboxylic acid (PubChem CID 130311004) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 3-hydroxy-3-methylbicyclo[3.3.1]nonane-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-3-methylbicyclo[3.3.1]nonane-1-carboxylic acid
PubChem CID130311004
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name3-hydroxy-3-methylbicyclo[3.3.1]nonane-1-carboxylic acid
SMILESCC1(O)CC2CCCC(C(=O)O)(C2)C1
InChIInChI=1S/C11H18O3/c1-10(14)5-8-3-2-4-11(6-8,7-10)9(12)13/h8,14H,2-7H2,1H3,(H,12,13)
InChIKeyRYKZOBZBHFRIRX-UHFFFAOYSA-N
XLogP1.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3S,5S)-3-methylbicyclo[3.3.1]nonane-1,3-dicarboxylic acid
CID 90772732
bicyclo[3.2.2]nonane-1-carboxylic acid
CID 12757493
3-methylbicyclo[3.3.3]undecan-3-ol
CID 18336100
3,7-dimethyltricyclo[3.3.1.03,7]nonane-1-carboxylic acid
CID 18593579
1,1-difluoro-2-[(3-hydroxy-3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]-2-oxoethanesulfonic acid
CID 134384353
3-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-1-ol
CID 148598782
1,1,1,2-tetrafluoro-3-[(3-hydroxy-3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]-3-oxopropane-2-sulfonic acid
CID 139393154
6-oxobicyclo[3.2.1]octane-1-carboxylic acid
CID 12504898
acetic acid;adamantane-1-carboxylic acid
CID 67530595
1-hydroxy-3,3-dimethylbicyclo[3.3.1]nonan-2-one
CID 85230357
adamantane-1-carboxylic acid;cobalt
CID 174948331
adamantane-1-carboxylic acid;hydrobromide
CID 175234233

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methylbicyclo[3.3.1]nonane-1-carboxylic acid?
The IUPAC name of 3-hydroxy-3-methylbicyclo[3.3.1]nonane-1-carboxylic acid (CID 130311004) is 3-hydroxy-3-methylbicyclo[3.3.1]nonane-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-3-methylbicyclo[3.3.1]nonane-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-3-methylbicyclo[3.3.1]nonane-1-carboxylic acid is CC1(O)CC2CCCC(C(=O)O)(C2)C1.
What is the InChIKey of 3-hydroxy-3-methylbicyclo[3.3.1]nonane-1-carboxylic acid?
The InChIKey is RYKZOBZBHFRIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-10(14)5-8-3-2-4-11(6-8,7-10)9(12)13/h8,14H,2-7H2,1H3,(H,12,13).
What are the key properties of 3-hydroxy-3-methylbicyclo[3.3.1]nonane-1-carboxylic acid?
3-hydroxy-3-methylbicyclo[3.3.1]nonane-1-carboxylic acid has a molecular weight of 198.26 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methylbicyclo[3.3.1]nonane-1-carboxylic acid is sourced from PubChem (CID 130311004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).