4,4,11,11-tetrabromotetracyclo[5.3.1.01,7.03,5]undecane

C11H12Br4 — CID 622134

IUPAC4,4,11,11-tetrabromotetracyclo[5.3.1.01,7.03,5]undecane
SMILESBrC1(Br)C2CC34CCCC3(CC21)C4(Br)Br
InChIInChI=1S/C11H12Br4/c12-10(13)6-4-8-2-1-3-9(8,5-7(6)10)11(8,14)15/h6-7H,1-5H2
InChIKeySHUNOWAARWMKLM-UHFFFAOYSA-N
MW463.83 g/mol
LogP5.17
Rot. Bonds

About 4,4,11,11-tetrabromotetracyclo[5.3.1.01,7.03,5]undecane

4,4,11,11-tetrabromotetracyclo[5.3.1.01,7.03,5]undecane (PubChem CID 622134) has the molecular formula C11H12Br4 and a molecular weight of 463.83 g/mol. Its IUPAC name is 4,4,11,11-tetrabromotetracyclo[5.3.1.01,7.03,5]undecane.

Molecular Properties

Compound Name4,4,11,11-tetrabromotetracyclo[5.3.1.01,7.03,5]undecane
PubChem CID622134
Molecular FormulaC11H12Br4
Molecular Weight463.83 g/mol
Exact Mass459.77
IUPAC Name4,4,11,11-tetrabromotetracyclo[5.3.1.01,7.03,5]undecane
SMILESBrC1(Br)C2CC34CCCC3(CC21)C4(Br)Br
InChIInChI=1S/C11H12Br4/c12-10(13)6-4-8-2-1-3-9(8,5-7(6)10)11(8,14)15/h6-7H,1-5H2
InChIKeySHUNOWAARWMKLM-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.83
LogP ≤ 55.17
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

(3R,5S)-4,4,11,11-tetrabromotetracyclo[5.3.1.01,7.03,5]undecane
CID 117071048
4,4,13,13-tetrabromotetracyclo[5.5.1.01,7.03,5]tridecane
CID 90487319
(1S,3S,5S,7R)-4,4,13,13-tetrabromotetracyclo[5.5.1.01,7.03,5]tridecane
CID 98633979
(1S,6R)-10,10-dibromotricyclo[4.3.1.01,6]dec-3-ene
CID 101344345
(1S,3R,5R,7R)-4,4,11,11-tetrabromo-3-methoxytetracyclo[5.3.1.01,7.03,5]undecane
CID 11813008
(1S,2S,6R,8S)-12,12,13,13-tetrabromopentacyclo[6.3.1.12,6.01,8.02,6]tridecane
CID 124525820
(1R,4R,6S,9S)-5,5,10,10-tetrabromotricyclo[7.1.0.04,6]decane
CID 1220422
11,11-dibromobicyclo[8.1.0]undecane
CID 12759798
10,10-dibromobicyclo[7.1.0]decane
CID 12759792
(4R,8S,9R)-3,4,8,9,11,11-hexabromotricyclo[4.4.1.01,6]undecane
CID 134855229
(1S,5S)-6,6-dibromo-3-azabicyclo[3.1.0]hexane
CID 125424367
CID 134993535
CID 134993535

Frequently Asked Questions

What is the IUPAC name of 4,4,11,11-tetrabromotetracyclo[5.3.1.01,7.03,5]undecane?
The IUPAC name of 4,4,11,11-tetrabromotetracyclo[5.3.1.01,7.03,5]undecane (CID 622134) is 4,4,11,11-tetrabromotetracyclo[5.3.1.01,7.03,5]undecane.
What is the SMILES notation for 4,4,11,11-tetrabromotetracyclo[5.3.1.01,7.03,5]undecane?
The canonical SMILES for 4,4,11,11-tetrabromotetracyclo[5.3.1.01,7.03,5]undecane is BrC1(Br)C2CC34CCCC3(CC21)C4(Br)Br.
What is the InChIKey of 4,4,11,11-tetrabromotetracyclo[5.3.1.01,7.03,5]undecane?
The InChIKey is SHUNOWAARWMKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br4/c12-10(13)6-4-8-2-1-3-9(8,5-7(6)10)11(8,14)15/h6-7H,1-5H2.
What are the key properties of 4,4,11,11-tetrabromotetracyclo[5.3.1.01,7.03,5]undecane?
4,4,11,11-tetrabromotetracyclo[5.3.1.01,7.03,5]undecane has a molecular weight of 463.83 g/mol, XLogP of 5.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,11,11-tetrabromotetracyclo[5.3.1.01,7.03,5]undecane is sourced from PubChem (CID 622134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).