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

C15H24O — CID 139585683

IUPAC(1R,4S,5S,8S,11R)-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-ol
SMILESC[C@@H]1CC[C@H]2C(C)(C)C[C@]3(C)[C@@H](O)C=C[C@]123
InChIInChI=1S/C15H24O/c1-10-5-6-11-13(2,3)9-14(4)12(16)7-8-15(10,11)14/h7-8,10-12,16H,5-6,9H2,1-4H3/t10-,11+,12+,14-,15+/m1/s1
InChIKeyZYETUZMHJIJQQT-NUNXZZDCSA-N
MW220.36 g/mol
LogP3.39
Rot. Bonds

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

(1R,4S,5S,8S,11R)-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-ol (PubChem CID 139585683) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,4S,5S,8S,11R)-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-ol.

Molecular Properties

Compound Name(1R,4S,5S,8S,11R)-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-ol
PubChem CID139585683
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,4S,5S,8S,11R)-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-ol
SMILESC[C@@H]1CC[C@H]2C(C)(C)C[C@]3(C)[C@@H](O)C=C[C@]123
InChIInChI=1S/C15H24O/c1-10-5-6-11-13(2,3)9-14(4)12(16)7-8-15(10,11)14/h7-8,10-12,16H,5-6,9H2,1-4H3/t10-,11+,12+,14-,15+/m1/s1
InChIKeyZYETUZMHJIJQQT-NUNXZZDCSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,4S,5S,8S,11R)-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-ol 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,4S,5S,8S,11R)-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-ol?
The IUPAC name of (1R,4S,5S,8S,11R)-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-ol (CID 139585683) is (1R,4S,5S,8S,11R)-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-ol.
What is the SMILES notation for (1R,4S,5S,8S,11R)-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-ol?
The canonical SMILES for (1R,4S,5S,8S,11R)-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-ol is C[C@@H]1CC[C@H]2C(C)(C)C[C@]3(C)[C@@H](O)C=C[C@]123.
What is the InChIKey of (1R,4S,5S,8S,11R)-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-ol?
The InChIKey is ZYETUZMHJIJQQT-NUNXZZDCSA-N. The full InChI is InChI=1S/C15H24O/c1-10-5-6-11-13(2,3)9-14(4)12(16)7-8-15(10,11)14/h7-8,10-12,16H,5-6,9H2,1-4H3/t10-,11+,12+,14-,15+/m1/s1.
What are the key properties of (1R,4S,5S,8S,11R)-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-ol?
(1R,4S,5S,8S,11R)-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-ol has a molecular weight of 220.36 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5S,8S,11R)-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-ol is sourced from PubChem (CID 139585683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).