(1R,5S,8S,9S,11R)-9-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one

C15H22O2 — CID 139587889

IUPAC(1R,5S,8S,9S,11R)-9-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one
SMILESC[C@@H]1C[C@H](O)[C@H]2C(C)(C)C[C@]3(C)C(=O)C=C[C@]123
InChIInChI=1S/C15H22O2/c1-9-7-10(16)12-13(2,3)8-14(4)11(17)5-6-15(9,12)14/h5-6,9-10,12,16H,7-8H2,1-4H3/t9-,10+,12+,14-,15+/m1/s1
InChIKeyGFYRIASLJUKILU-VDPPQRJLSA-N
MW234.34 g/mol
LogP2.56
Rot. Bonds

About (1R,5S,8S,9S,11R)-9-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one

(1R,5S,8S,9S,11R)-9-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one (PubChem CID 139587889) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1R,5S,8S,9S,11R)-9-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one.

Molecular Properties

Compound Name(1R,5S,8S,9S,11R)-9-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one
PubChem CID139587889
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1R,5S,8S,9S,11R)-9-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one
SMILESC[C@@H]1C[C@H](O)[C@H]2C(C)(C)C[C@]3(C)C(=O)C=C[C@]123
InChIInChI=1S/C15H22O2/c1-9-7-10(16)12-13(2,3)8-14(4)11(17)5-6-15(9,12)14/h5-6,9-10,12,16H,7-8H2,1-4H3/t9-,10+,12+,14-,15+/m1/s1
InChIKeyGFYRIASLJUKILU-VDPPQRJLSA-N
XLogP2.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,5S,8S,9S,11R)-9-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one 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,5S,8S,9S,11R)-9-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one?
The IUPAC name of (1R,5S,8S,9S,11R)-9-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one (CID 139587889) is (1R,5S,8S,9S,11R)-9-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one.
What is the SMILES notation for (1R,5S,8S,9S,11R)-9-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one?
The canonical SMILES for (1R,5S,8S,9S,11R)-9-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one is C[C@@H]1C[C@H](O)[C@H]2C(C)(C)C[C@]3(C)C(=O)C=C[C@]123.
What is the InChIKey of (1R,5S,8S,9S,11R)-9-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one?
The InChIKey is GFYRIASLJUKILU-VDPPQRJLSA-N. The full InChI is InChI=1S/C15H22O2/c1-9-7-10(16)12-13(2,3)8-14(4)11(17)5-6-15(9,12)14/h5-6,9-10,12,16H,7-8H2,1-4H3/t9-,10+,12+,14-,15+/m1/s1.
What are the key properties of (1R,5S,8S,9S,11R)-9-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one?
(1R,5S,8S,9S,11R)-9-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one has a molecular weight of 234.34 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,8S,9S,11R)-9-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one is sourced from PubChem (CID 139587889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).