alumane;1,2,3,4,5,6-hexabromocyclododecane

C12H21AlBr6 — CID 174675099

IUPACalumane;1,2,3,4,5,6-hexabromocyclododecane
SMILESBrC1CCCCCCC(Br)C(Br)C(Br)C(Br)C1Br.[AlH3]
InChIInChI=1S/C12H18Br6.Al.3H/c13-7-5-3-1-2-4-6-8(14)10(16)12(18)11(17)9(7)15;;;;/h7-12H,1-6H2;;;;
InChIKeyBMKYYEQIVPHPKK-UHFFFAOYSA-N
MW671.71 g/mol
LogP5.74
Rot. Bonds

About alumane;1,2,3,4,5,6-hexabromocyclododecane

alumane;1,2,3,4,5,6-hexabromocyclododecane (PubChem CID 174675099) has the molecular formula C12H21AlBr6 and a molecular weight of 671.71 g/mol. Its IUPAC name is alumane;1,2,3,4,5,6-hexabromocyclododecane.

Molecular Properties

Compound Namealumane;1,2,3,4,5,6-hexabromocyclododecane
PubChem CID174675099
Molecular FormulaC12H21AlBr6
Molecular Weight671.71 g/mol
Exact Mass665.66
IUPAC Namealumane;1,2,3,4,5,6-hexabromocyclododecane
SMILESBrC1CCCCCCC(Br)C(Br)C(Br)C(Br)C1Br.[AlH3]
InChIInChI=1S/C12H18Br6.Al.3H/c13-7-5-3-1-2-4-6-8(14)10(16)12(18)11(17)9(7)15;;;;/h7-12H,1-6H2;;;;
InChIKeyBMKYYEQIVPHPKK-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.71
LogP ≤ 55.74
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

(1S,2S,3S,4S,5S,6S)-1,2,3,4,5,6-hexabromocyclododecane
CID 76964962
1,2-dibromocyclodecane
CID 73175476
1,2-dibromocyclododecane
CID 13111000
1,2,3,4,5,6,7,8,9,10-decabromocyclododecane
CID 175081059
1,2,5,6,9,10-hexabromocyclooctadecane
CID 101354867
trans-(1R,2R)-1-bromo-2-fluorocycloheptane
CID 11446885
1-[(2S)-2-bromocycloheptyl]pyridin-1-ium
CID 18527034
(2R)-2-bromocyclododecan-1-ol
CID 177392734
CID 88748776
CID 88748776
1,5-dibromo-2,6-dichlorocyclododecane
CID 19912716
cis-(1S,2R)-2-bromocyclohexan-1-amine
CID 92968948
trans-(1R,2R)-2-bromocyclohexan-1-ol
CID 10866921

Frequently Asked Questions

What is the IUPAC name of alumane;1,2,3,4,5,6-hexabromocyclododecane?
The IUPAC name of alumane;1,2,3,4,5,6-hexabromocyclododecane (CID 174675099) is alumane;1,2,3,4,5,6-hexabromocyclododecane.
What is the SMILES notation for alumane;1,2,3,4,5,6-hexabromocyclododecane?
The canonical SMILES for alumane;1,2,3,4,5,6-hexabromocyclododecane is BrC1CCCCCCC(Br)C(Br)C(Br)C(Br)C1Br.[AlH3].
What is the InChIKey of alumane;1,2,3,4,5,6-hexabromocyclododecane?
The InChIKey is BMKYYEQIVPHPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br6.Al.3H/c13-7-5-3-1-2-4-6-8(14)10(16)12(18)11(17)9(7)15;;;;/h7-12H,1-6H2;;;;.
What are the key properties of alumane;1,2,3,4,5,6-hexabromocyclododecane?
alumane;1,2,3,4,5,6-hexabromocyclododecane has a molecular weight of 671.71 g/mol, XLogP of 5.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;1,2,3,4,5,6-hexabromocyclododecane is sourced from PubChem (CID 174675099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).