1,4,7,10-tetrabromocyclododecane

C12H20Br4 — CID 101410229

IUPAC1,4,7,10-tetrabromocyclododecane
SMILESBrC1CCC(Br)CCC(Br)CCC(Br)CC1
InChIInChI=1S/C12H20Br4/c13-9-1-2-10(14)5-6-12(16)8-7-11(15)4-3-9/h9-12H,1-8H2
InChIKeyBAKAAIBCXXNKPJ-UHFFFAOYSA-N
MW483.91 g/mol
LogP6.17
Rot. Bonds

About 1,4,7,10-tetrabromocyclododecane

1,4,7,10-tetrabromocyclododecane (PubChem CID 101410229) has the molecular formula C12H20Br4 and a molecular weight of 483.91 g/mol. Its IUPAC name is 1,4,7,10-tetrabromocyclododecane.

Molecular Properties

Compound Name1,4,7,10-tetrabromocyclododecane
PubChem CID101410229
Molecular FormulaC12H20Br4
Molecular Weight483.91 g/mol
Exact Mass479.83
IUPAC Name1,4,7,10-tetrabromocyclododecane
SMILESBrC1CCC(Br)CCC(Br)CCC(Br)CC1
InChIInChI=1S/C12H20Br4/c13-9-1-2-10(14)5-6-12(16)8-7-11(15)4-3-9/h9-12H,1-8H2
InChIKeyBAKAAIBCXXNKPJ-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.91
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,5,6,9,10-Hexabromocyclododecane
CID 18529
Hexabromocyclododecane
CID 33121
1,2,5,6-Tetrabromocyclooctane
CID 296646
1,12-Dibromododecane
CID 18766
1,9-Dibromononane
CID 20677
Sec-octyl bromide, (+-)-
CID 79046
2-Bromododecane
CID 98299
1,8-Dibromooctane
CID 78310
1,10-Dibromodecane
CID 221483
2-Bromoundecane
CID 98160
2-Bromononane
CID 98219
1,2-Dibromooctane
CID 234283

Frequently Asked Questions

What is the IUPAC name of 1,4,7,10-tetrabromocyclododecane?
The IUPAC name of 1,4,7,10-tetrabromocyclododecane (CID 101410229) is 1,4,7,10-tetrabromocyclododecane.
What is the SMILES notation for 1,4,7,10-tetrabromocyclododecane?
The canonical SMILES for 1,4,7,10-tetrabromocyclododecane is BrC1CCC(Br)CCC(Br)CCC(Br)CC1.
What is the InChIKey of 1,4,7,10-tetrabromocyclododecane?
The InChIKey is BAKAAIBCXXNKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20Br4/c13-9-1-2-10(14)5-6-12(16)8-7-11(15)4-3-9/h9-12H,1-8H2.
What are the key properties of 1,4,7,10-tetrabromocyclododecane?
1,4,7,10-tetrabromocyclododecane has a molecular weight of 483.91 g/mol, XLogP of 6.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10-tetrabromocyclododecane is sourced from PubChem (CID 101410229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).