(1R,2S,3S,5S,6S,8S,9R,10S)-4,4-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecane

C11H12Br2 — CID 124764003

IUPAC(1R,2S,3S,5S,6S,8S,9R,10S)-4,4-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecane
SMILESBrC1(Br)[C@H]2[C@H]3C[C@H]4[C@H]5C[C@@H]([C@@H]42)[C@H]1[C@@H]53
InChIInChI=1S/C11H12Br2/c12-11(13)9-5-1-3-4-2-6(7(3)9)10(11)8(4)5/h3-10H,1-2H2/t3-,4+,5-,6-,7+,8-,9-,10-/m0/s1
InChIKeyOLRUHJPVOOXZIZ-KTAYFMQGSA-N
MW304.03 g/mol
LogP3.25
Rot. Bonds

About (1R,2S,3S,5S,6S,8S,9R,10S)-4,4-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecane

(1R,2S,3S,5S,6S,8S,9R,10S)-4,4-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecane (PubChem CID 124764003) has the molecular formula C11H12Br2 and a molecular weight of 304.03 g/mol. Its IUPAC name is (1R,2S,3S,5S,6S,8S,9R,10S)-4,4-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecane.

Molecular Properties

Compound Name(1R,2S,3S,5S,6S,8S,9R,10S)-4,4-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecane
PubChem CID124764003
Molecular FormulaC11H12Br2
Molecular Weight304.03 g/mol
Exact Mass301.93
IUPAC Name(1R,2S,3S,5S,6S,8S,9R,10S)-4,4-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecane
SMILESBrC1(Br)[C@H]2[C@H]3C[C@H]4[C@H]5C[C@@H]([C@@H]42)[C@H]1[C@@H]53
InChIInChI=1S/C11H12Br2/c12-11(13)9-5-1-3-4-2-6(7(3)9)10(11)8(4)5/h3-10H,1-2H2/t3-,4+,5-,6-,7+,8-,9-,10-/m0/s1
InChIKeyOLRUHJPVOOXZIZ-KTAYFMQGSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.03
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1R,2S,3S,5S,6S,8S,9R,10S)-4,4-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecane 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,2S,3S,5S,6S,8S,9R,10S)-4,4-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecane?
The IUPAC name of (1R,2S,3S,5S,6S,8S,9R,10S)-4,4-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecane (CID 124764003) is (1R,2S,3S,5S,6S,8S,9R,10S)-4,4-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecane.
What is the SMILES notation for (1R,2S,3S,5S,6S,8S,9R,10S)-4,4-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecane?
The canonical SMILES for (1R,2S,3S,5S,6S,8S,9R,10S)-4,4-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecane is BrC1(Br)[C@H]2[C@H]3C[C@H]4[C@H]5C[C@@H]([C@@H]42)[C@H]1[C@@H]53.
What is the InChIKey of (1R,2S,3S,5S,6S,8S,9R,10S)-4,4-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecane?
The InChIKey is OLRUHJPVOOXZIZ-KTAYFMQGSA-N. The full InChI is InChI=1S/C11H12Br2/c12-11(13)9-5-1-3-4-2-6(7(3)9)10(11)8(4)5/h3-10H,1-2H2/t3-,4+,5-,6-,7+,8-,9-,10-/m0/s1.
What are the key properties of (1R,2S,3S,5S,6S,8S,9R,10S)-4,4-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecane?
(1R,2S,3S,5S,6S,8S,9R,10S)-4,4-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecane has a molecular weight of 304.03 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,5S,6S,8S,9R,10S)-4,4-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecane is sourced from PubChem (CID 124764003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).