(1R,4R,5R,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol

C15H26O2 — CID 10444237

IUPAC(1R,4R,5R,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol
SMILESC=C1CC[C@@H](O)[C@](C)(O)CC[C@@H]2[C@@H]1CC2(C)C
InChIInChI=1S/C15H26O2/c1-10-5-6-13(16)15(4,17)8-7-12-11(10)9-14(12,2)3/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1
InChIKeyXZTGVWRBZDBQLP-RGCMKSIDSA-N
MW238.37 g/mol
LogP2.89
Rot. Bonds

About (1R,4R,5R,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol

(1R,4R,5R,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol (PubChem CID 10444237) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R,4R,5R,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol.

Molecular Properties

Compound Name(1R,4R,5R,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol
PubChem CID10444237
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R,4R,5R,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol
SMILESC=C1CC[C@@H](O)[C@](C)(O)CC[C@@H]2[C@@H]1CC2(C)C
InChIInChI=1S/C15H26O2/c1-10-5-6-13(16)15(4,17)8-7-12-11(10)9-14(12,2)3/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1
InChIKeyXZTGVWRBZDBQLP-RGCMKSIDSA-N
XLogP2.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,4R,5R,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol with MolForge

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

Launch Full Analysis

Related Compounds

Bicyclo(7.2.0)undecan-5-ol, 10,10-dimethyl-2,6-bis(methylene)-
CID 527418
alpha-Caryophylladienol
CID 14524923
Suberosol B
CID 10444136
10,10-Dimethyl-2,6-dimethylenebicyclo[7.2.0]undecan-5-ol
CID 14524924
14-Hydroxycaryophyllene oxide
CID 155791
Suberosol A
CID 10014356
[(1R,4S,9S)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undecanyl]methanol
CID 10036514
7,8-Epoxy-1(12)-caryophyllene-9beta-ol
CID 10354120
[(1R,4R,6R,10S,12R)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-yl]methanol
CID 14543497
[(1R,4R,6R,10S,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-yl]methanol
CID 21672189
Caryophylladienol
CID 91747928
(1S,2R,5S,9R)-2-(hydroxymethyl)-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecane-2,5-diol
CID 156018990

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol?
The IUPAC name of (1R,4R,5R,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol (CID 10444237) is (1R,4R,5R,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol.
What is the SMILES notation for (1R,4R,5R,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol?
The canonical SMILES for (1R,4R,5R,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol is C=C1CC[C@@H](O)[C@](C)(O)CC[C@@H]2[C@@H]1CC2(C)C.
What is the InChIKey of (1R,4R,5R,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol?
The InChIKey is XZTGVWRBZDBQLP-RGCMKSIDSA-N. The full InChI is InChI=1S/C15H26O2/c1-10-5-6-13(16)15(4,17)8-7-12-11(10)9-14(12,2)3/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1.
What are the key properties of (1R,4R,5R,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol?
(1R,4R,5R,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol has a molecular weight of 238.37 g/mol, XLogP of 2.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol is sourced from PubChem (CID 10444237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).