(8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene

C17H16Br2 — CID 163273815

IUPAC(8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
SMILESC[C@@H]1C[C@@H](C)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C17H16Br2/c1-10-7-11(2)17-9-13(19)4-6-15(17)14-5-3-12(18)8-16(10)14/h3-6,8-11H,7H2,1-2H3/t10-,11-/m1/s1
InChIKeyKXNLANXNCCOEBK-GHMZBOCLSA-N
MW380.12 g/mol
LogP6.49
Rot. Bonds

About (8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene

(8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene (PubChem CID 163273815) has the molecular formula C17H16Br2 and a molecular weight of 380.12 g/mol. Its IUPAC name is (8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene.

Molecular Properties

Compound Name(8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
PubChem CID163273815
Molecular FormulaC17H16Br2
Molecular Weight380.12 g/mol
Exact Mass377.96
IUPAC Name(8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
SMILESC[C@@H]1C[C@@H](C)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C17H16Br2/c1-10-7-11(2)17-9-13(19)4-6-15(17)14-5-3-12(18)8-16(10)14/h3-6,8-11H,7H2,1-2H3/t10-,11-/m1/s1
InChIKeyKXNLANXNCCOEBK-GHMZBOCLSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.12
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene 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 (8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene?
The IUPAC name of (8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene (CID 163273815) is (8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene.
What is the SMILES notation for (8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene?
The canonical SMILES for (8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene is C[C@@H]1C[C@@H](C)c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of (8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene?
The InChIKey is KXNLANXNCCOEBK-GHMZBOCLSA-N. The full InChI is InChI=1S/C17H16Br2/c1-10-7-11(2)17-9-13(19)4-6-15(17)14-5-3-12(18)8-16(10)14/h3-6,8-11H,7H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene?
(8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene has a molecular weight of 380.12 g/mol, XLogP of 6.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene is sourced from PubChem (CID 163273815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).