(1R,2R,5R,6R,7R)-5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid

C15H22O3 — CID 14059051

IUPAC(1R,2R,5R,6R,7R)-5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid
SMILESCC1=CC[C@]2(C)C[C@H]1[C@]1(C(=O)O)CC[C@@H](O)[C@]21C
InChIInChI=1S/C15H22O3/c1-9-4-6-13(2)8-10(9)15(12(17)18)7-5-11(16)14(13,15)3/h4,10-11,16H,5-8H2,1-3H3,(H,17,18)/t10-,11-,13-,14-,15+/m1/s1
InChIKeyUWZMKQPUYRHXRE-BBIZWXPBSA-N
MW250.34 g/mol
LogP2.59
Rot. Bonds1

About (1R,2R,5R,6R,7R)-5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid

(1R,2R,5R,6R,7R)-5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid (PubChem CID 14059051) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1R,2R,5R,6R,7R)-5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,5R,6R,7R)-5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid
PubChem CID14059051
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(1R,2R,5R,6R,7R)-5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid
SMILESCC1=CC[C@]2(C)C[C@H]1[C@]1(C(=O)O)CC[C@@H](O)[C@]21C
InChIInChI=1S/C15H22O3/c1-9-4-6-13(2)8-10(9)15(12(17)18)7-5-11(16)14(13,15)3/h4,10-11,16H,5-8H2,1-3H3,(H,17,18)/t10-,11-,13-,14-,15+/m1/s1
InChIKeyUWZMKQPUYRHXRE-BBIZWXPBSA-N
XLogP2.59
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2R,5R,6R,7R)-5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-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 (1R,2R,5R,6R,7R)-5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid?
The IUPAC name of (1R,2R,5R,6R,7R)-5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid (CID 14059051) is (1R,2R,5R,6R,7R)-5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid.
What is the SMILES notation for (1R,2R,5R,6R,7R)-5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid?
The canonical SMILES for (1R,2R,5R,6R,7R)-5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid is CC1=CC[C@]2(C)C[C@H]1[C@]1(C(=O)O)CC[C@@H](O)[C@]21C.
What is the InChIKey of (1R,2R,5R,6R,7R)-5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid?
The InChIKey is UWZMKQPUYRHXRE-BBIZWXPBSA-N. The full InChI is InChI=1S/C15H22O3/c1-9-4-6-13(2)8-10(9)15(12(17)18)7-5-11(16)14(13,15)3/h4,10-11,16H,5-8H2,1-3H3,(H,17,18)/t10-,11-,13-,14-,15+/m1/s1.
What are the key properties of (1R,2R,5R,6R,7R)-5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid?
(1R,2R,5R,6R,7R)-5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R,6R,7R)-5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid is sourced from PubChem (CID 14059051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).