3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid

C11H18O3 — CID 2770470

IUPAC3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
SMILESCC12CCC(C(=O)O)(CC1O)C2(C)C
InChIInChI=1S/C11H18O3/c1-9(2)10(3)4-5-11(9,8(13)14)6-7(10)12/h7,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyXGYBHRIFVITMPY-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.65
Rot. Bonds1

About 3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid

3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid (PubChem CID 2770470) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
PubChem CID2770470
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
SMILESCC12CCC(C(=O)O)(CC1O)C2(C)C
InChIInChI=1S/C11H18O3/c1-9(2)10(3)4-5-11(9,8(13)14)6-7(10)12/h7,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyXGYBHRIFVITMPY-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(+)-exo-5-Hydroxycamphor
CID 447414
Mls003106643
CID 296913
5-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 189214
(1S,4S,5S)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 21145050
2-Hydroxy-1-methylbicyclo[2.2.1]heptane-7-carboxylic acid
CID 296976
5-Hydroxy-1,7,7-trimethylbicyclo(2.2.1)heptan-2-one
CID 440017
5-Hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
CID 86047059
(1R,4R)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 130813327
3-Hydroxy-4,7,7-trimethyl-bicyclo[2.2.1]heptane-1-carboxylic acid methyl ester
CID 2770861
1-Propanone, 1-(2-hydroxybicyclo[2.2.1]hept-7-yl)-2,2-dimethyl-
CID 5227829
Cambridge id 6947285
CID 23666913
Bicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 5-hydroxy-
CID 296896

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid?
The IUPAC name of 3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid (CID 2770470) is 3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid is CC12CCC(C(=O)O)(CC1O)C2(C)C.
What is the InChIKey of 3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid?
The InChIKey is XGYBHRIFVITMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-9(2)10(3)4-5-11(9,8(13)14)6-7(10)12/h7,12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid?
3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid has a molecular weight of 198.26 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid is sourced from PubChem (CID 2770470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).