2,8,10,16-tetrabromo-3,3,7,7,11,11,15,15-octamethylcyclohexadecane-1,9-dione

C24H40Br4O2 — CID 102211527

IUPAC2,8,10,16-tetrabromo-3,3,7,7,11,11,15,15-octamethylcyclohexadecane-1,9-dione
SMILESCC1(C)CCCC(C)(C)C(Br)C(=O)C(Br)C(C)(C)CCCC(C)(C)C(Br)C(=O)C1Br
InChIInChI=1S/C24H40Br4O2/c1-21(2)11-9-12-22(3,4)19(27)16(30)20(28)24(7,8)14-10-13-23(5,6)18(26)15(29)17(21)25/h17-20H,9-14H2,1-8H3
InChIKeyBOZIXONJZPHDMT-UHFFFAOYSA-N
MW680.20 g/mol
LogP8.64
Rot. Bonds

About 2,8,10,16-tetrabromo-3,3,7,7,11,11,15,15-octamethylcyclohexadecane-1,9-dione

2,8,10,16-tetrabromo-3,3,7,7,11,11,15,15-octamethylcyclohexadecane-1,9-dione (PubChem CID 102211527) has the molecular formula C24H40Br4O2 and a molecular weight of 680.20 g/mol. Its IUPAC name is 2,8,10,16-tetrabromo-3,3,7,7,11,11,15,15-octamethylcyclohexadecane-1,9-dione.

Molecular Properties

Compound Name2,8,10,16-tetrabromo-3,3,7,7,11,11,15,15-octamethylcyclohexadecane-1,9-dione
PubChem CID102211527
Molecular FormulaC24H40Br4O2
Molecular Weight680.20 g/mol
Exact Mass675.98
IUPAC Name2,8,10,16-tetrabromo-3,3,7,7,11,11,15,15-octamethylcyclohexadecane-1,9-dione
SMILESCC1(C)CCCC(C)(C)C(Br)C(=O)C(Br)C(C)(C)CCCC(C)(C)C(Br)C(=O)C1Br
InChIInChI=1S/C24H40Br4O2/c1-21(2)11-9-12-22(3,4)19(27)16(30)20(28)24(7,8)14-10-13-23(5,6)18(26)15(29)17(21)25/h17-20H,9-14H2,1-8H3
InChIKeyBOZIXONJZPHDMT-UHFFFAOYSA-N
XLogP8.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.20
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,8,10,16-tetrabromo-3,3,7,7,11,11,15,15-octamethylcyclohexadecane-1,9-dione 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 2,8,10,16-tetrabromo-3,3,7,7,11,11,15,15-octamethylcyclohexadecane-1,9-dione?
The IUPAC name of 2,8,10,16-tetrabromo-3,3,7,7,11,11,15,15-octamethylcyclohexadecane-1,9-dione (CID 102211527) is 2,8,10,16-tetrabromo-3,3,7,7,11,11,15,15-octamethylcyclohexadecane-1,9-dione.
What is the SMILES notation for 2,8,10,16-tetrabromo-3,3,7,7,11,11,15,15-octamethylcyclohexadecane-1,9-dione?
The canonical SMILES for 2,8,10,16-tetrabromo-3,3,7,7,11,11,15,15-octamethylcyclohexadecane-1,9-dione is CC1(C)CCCC(C)(C)C(Br)C(=O)C(Br)C(C)(C)CCCC(C)(C)C(Br)C(=O)C1Br.
What is the InChIKey of 2,8,10,16-tetrabromo-3,3,7,7,11,11,15,15-octamethylcyclohexadecane-1,9-dione?
The InChIKey is BOZIXONJZPHDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40Br4O2/c1-21(2)11-9-12-22(3,4)19(27)16(30)20(28)24(7,8)14-10-13-23(5,6)18(26)15(29)17(21)25/h17-20H,9-14H2,1-8H3.
What are the key properties of 2,8,10,16-tetrabromo-3,3,7,7,11,11,15,15-octamethylcyclohexadecane-1,9-dione?
2,8,10,16-tetrabromo-3,3,7,7,11,11,15,15-octamethylcyclohexadecane-1,9-dione has a molecular weight of 680.20 g/mol, XLogP of 8.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,10,16-tetrabromo-3,3,7,7,11,11,15,15-octamethylcyclohexadecane-1,9-dione is sourced from PubChem (CID 102211527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).