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

C10H16O3 — CID 14664463

IUPAC2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid
SMILESCC1(C)C2CCC1(C(=O)O)C(O)C2
InChIInChI=1S/C10H16O3/c1-9(2)6-3-4-10(9,8(12)13)7(11)5-6/h6-7,11H,3-5H2,1-2H3,(H,12,13)
InChIKeyILHZBOHNUZGVOG-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.26
Rot. Bonds1

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

2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid (PubChem CID 14664463) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid
PubChem CID14664463
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid
SMILESCC1(C)C2CCC1(C(=O)O)C(O)C2
InChIInChI=1S/C10H16O3/c1-9(2)6-3-4-10(9,8(12)13)7(11)5-6/h6-7,11H,3-5H2,1-2H3,(H,12,13)
InChIKeyILHZBOHNUZGVOG-UHFFFAOYSA-N
XLogP1.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid?
The IUPAC name of 2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid (CID 14664463) is 2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid.
What is the SMILES notation for 2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid?
The canonical SMILES for 2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid is CC1(C)C2CCC1(C(=O)O)C(O)C2.
What is the InChIKey of 2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid?
The InChIKey is ILHZBOHNUZGVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-9(2)6-3-4-10(9,8(12)13)7(11)5-6/h6-7,11H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid?
2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid has a molecular weight of 184.23 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid is sourced from PubChem (CID 14664463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).