3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid

C11H18O3 — CID 123347184

IUPAC3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC1(C)C2CCC1(C)C(C(=O)O)C2O
InChIInChI=1S/C11H18O3/c1-10(2)6-4-5-11(10,3)7(8(6)12)9(13)14/h6-8,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyKIZOFZURWRBTRS-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.50
Rot. Bonds1

About 3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid

3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 123347184) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID123347184
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC1(C)C2CCC1(C)C(C(=O)O)C2O
InChIInChI=1S/C11H18O3/c1-10(2)6-4-5-11(10,3)7(8(6)12)9(13)14/h6-8,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyKIZOFZURWRBTRS-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid (CID 123347184) is 3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid is CC1(C)C2CCC1(C)C(C(=O)O)C2O.
What is the InChIKey of 3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is KIZOFZURWRBTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-10(2)6-4-5-11(10,3)7(8(6)12)9(13)14/h6-8,12H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid?
3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 198.26 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 123347184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).