(1R,8S)-11-chlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene

C11H11Cl — CID 130699170

IUPAC(1R,8S)-11-chlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESClC1[C@@H]2CC[C@H]1c1ccccc12
InChIInChI=1S/C11H11Cl/c12-11-9-5-6-10(11)8-4-2-1-3-7(8)9/h1-4,9-11H,5-6H2/t9-,10+,11?
InChIKeyQTHZXXZPWFSZTK-ZACCUICWSA-N
MW178.66 g/mol
LogP3.27
Rot. Bonds

About (1R,8S)-11-chlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene

(1R,8S)-11-chlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 130699170) has the molecular formula C11H11Cl and a molecular weight of 178.66 g/mol. Its IUPAC name is (1R,8S)-11-chlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name(1R,8S)-11-chlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID130699170
Molecular FormulaC11H11Cl
Molecular Weight178.66 g/mol
Exact Mass178.05
IUPAC Name(1R,8S)-11-chlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESClC1[C@@H]2CC[C@H]1c1ccccc12
InChIInChI=1S/C11H11Cl/c12-11-9-5-6-10(11)8-4-2-1-3-7(8)9/h1-4,9-11H,5-6H2/t9-,10+,11?
InChIKeyQTHZXXZPWFSZTK-ZACCUICWSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1R,8S)-11-chlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene 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

(5S)-tricyclo[4.4.0.02,5]deca-1(10),6,8-triene
CID 68882978
(1R,8S,9R,11S)-10-oxatetracyclo[6.3.2.02,7.09,11]trideca-2,4,6-triene
CID 102239877
(9R,11S)-10-oxatetracyclo[6.3.2.02,7.09,11]trideca-2,4,6-triene
CID 22216431
(1S,8S,9R)-9,11-dichlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 23270308
trichloro-[(1S,8R,9R,10S)-10-chloro-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]stannane
CID 10431244
tricyclo[6.6.0.02,7]tetradeca-2,4,6-trien-11-yne
CID 171447567
(1R,2R,9S,10S,11S,12S)-11,12-dichlorotetracyclo[8.2.1.02,9.03,8]trideca-3,5,7-triene
CID 22216876
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301
(1S,3S)-2-chloro-2,3-dihydro-1H-indene-1,3-diol
CID 10511719
2-(2-cyclobutylphenyl)cyclobutan-1-amine
CID 114607226
(9R,10R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diamine
CID 5275734
tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride
CID 158531622

Frequently Asked Questions

What is the IUPAC name of (1R,8S)-11-chlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of (1R,8S)-11-chlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 130699170) is (1R,8S)-11-chlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for (1R,8S)-11-chlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for (1R,8S)-11-chlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene is ClC1[C@@H]2CC[C@H]1c1ccccc12.
What is the InChIKey of (1R,8S)-11-chlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is QTHZXXZPWFSZTK-ZACCUICWSA-N. The full InChI is InChI=1S/C11H11Cl/c12-11-9-5-6-10(11)8-4-2-1-3-7(8)9/h1-4,9-11H,5-6H2/t9-,10+,11?.
What are the key properties of (1R,8S)-11-chlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
(1R,8S)-11-chlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 178.66 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-11-chlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 130699170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).