(1S,2S,4S,6R,8S,9R)-9-hydroxy-1,4,8-trimethyl-11-oxotricyclo[6.2.1.02,6]undecane-4-carboxylic acid

C15H22O4 — CID 101260447

IUPAC(1S,2S,4S,6R,8S,9R)-9-hydroxy-1,4,8-trimethyl-11-oxotricyclo[6.2.1.02,6]undecane-4-carboxylic acid
SMILESC[C@]1(C(=O)O)C[C@H]2C[C@]3(C)C(=O)[C@@](C)(C[C@H]3O)[C@H]2C1
InChIInChI=1S/C15H22O4/c1-13(12(18)19)4-8-5-15(3)10(16)7-14(2,11(15)17)9(8)6-13/h8-10,16H,4-7H2,1-3H3,(H,18,19)/t8-,9-,10+,13-,14-,15-/m0/s1
InChIKeyLMJURNPIDVRJOJ-LWLBBTHZSA-N
MW266.34 g/mol
LogP1.85
Rot. Bonds1

About (1S,2S,4S,6R,8S,9R)-9-hydroxy-1,4,8-trimethyl-11-oxotricyclo[6.2.1.02,6]undecane-4-carboxylic acid

(1S,2S,4S,6R,8S,9R)-9-hydroxy-1,4,8-trimethyl-11-oxotricyclo[6.2.1.02,6]undecane-4-carboxylic acid (PubChem CID 101260447) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (1S,2S,4S,6R,8S,9R)-9-hydroxy-1,4,8-trimethyl-11-oxotricyclo[6.2.1.02,6]undecane-4-carboxylic acid.

Molecular Properties

Compound Name(1S,2S,4S,6R,8S,9R)-9-hydroxy-1,4,8-trimethyl-11-oxotricyclo[6.2.1.02,6]undecane-4-carboxylic acid
PubChem CID101260447
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(1S,2S,4S,6R,8S,9R)-9-hydroxy-1,4,8-trimethyl-11-oxotricyclo[6.2.1.02,6]undecane-4-carboxylic acid
SMILESC[C@]1(C(=O)O)C[C@H]2C[C@]3(C)C(=O)[C@@](C)(C[C@H]3O)[C@H]2C1
InChIInChI=1S/C15H22O4/c1-13(12(18)19)4-8-5-15(3)10(16)7-14(2,11(15)17)9(8)6-13/h8-10,16H,4-7H2,1-3H3,(H,18,19)/t8-,9-,10+,13-,14-,15-/m0/s1
InChIKeyLMJURNPIDVRJOJ-LWLBBTHZSA-N
XLogP1.85
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,2S,4S,6R,8S,9R)-9-hydroxy-1,4,8-trimethyl-11-oxotricyclo[6.2.1.02,6]undecane-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S,6R,8S,9R)-9-hydroxy-1,4,8-trimethyl-11-oxotricyclo[6.2.1.02,6]undecane-4-carboxylic acid?
The IUPAC name of (1S,2S,4S,6R,8S,9R)-9-hydroxy-1,4,8-trimethyl-11-oxotricyclo[6.2.1.02,6]undecane-4-carboxylic acid (CID 101260447) is (1S,2S,4S,6R,8S,9R)-9-hydroxy-1,4,8-trimethyl-11-oxotricyclo[6.2.1.02,6]undecane-4-carboxylic acid.
What is the SMILES notation for (1S,2S,4S,6R,8S,9R)-9-hydroxy-1,4,8-trimethyl-11-oxotricyclo[6.2.1.02,6]undecane-4-carboxylic acid?
The canonical SMILES for (1S,2S,4S,6R,8S,9R)-9-hydroxy-1,4,8-trimethyl-11-oxotricyclo[6.2.1.02,6]undecane-4-carboxylic acid is C[C@]1(C(=O)O)C[C@H]2C[C@]3(C)C(=O)[C@@](C)(C[C@H]3O)[C@H]2C1.
What is the InChIKey of (1S,2S,4S,6R,8S,9R)-9-hydroxy-1,4,8-trimethyl-11-oxotricyclo[6.2.1.02,6]undecane-4-carboxylic acid?
The InChIKey is LMJURNPIDVRJOJ-LWLBBTHZSA-N. The full InChI is InChI=1S/C15H22O4/c1-13(12(18)19)4-8-5-15(3)10(16)7-14(2,11(15)17)9(8)6-13/h8-10,16H,4-7H2,1-3H3,(H,18,19)/t8-,9-,10+,13-,14-,15-/m0/s1.
What are the key properties of (1S,2S,4S,6R,8S,9R)-9-hydroxy-1,4,8-trimethyl-11-oxotricyclo[6.2.1.02,6]undecane-4-carboxylic acid?
(1S,2S,4S,6R,8S,9R)-9-hydroxy-1,4,8-trimethyl-11-oxotricyclo[6.2.1.02,6]undecane-4-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S,6R,8S,9R)-9-hydroxy-1,4,8-trimethyl-11-oxotricyclo[6.2.1.02,6]undecane-4-carboxylic acid is sourced from PubChem (CID 101260447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).