1,2,4,5-tetrakis(bromomethyl)cyclohexane

C10H16Br4 — CID 126505487

IUPAC1,2,4,5-tetrakis(bromomethyl)cyclohexane
SMILESBrCC1CC(CBr)C(CBr)CC1CBr
InChIInChI=1S/C10H16Br4/c11-3-7-1-8(4-12)10(6-14)2-9(7)5-13/h7-10H,1-6H2
InChIKeyZLSXHMCYGNOHNG-UHFFFAOYSA-N
MW455.85 g/mol
LogP4.82
Rot. Bonds4

About 1,2,4,5-tetrakis(bromomethyl)cyclohexane

1,2,4,5-tetrakis(bromomethyl)cyclohexane (PubChem CID 126505487) has the molecular formula C10H16Br4 and a molecular weight of 455.85 g/mol. Its IUPAC name is 1,2,4,5-tetrakis(bromomethyl)cyclohexane.

Molecular Properties

Compound Name1,2,4,5-tetrakis(bromomethyl)cyclohexane
PubChem CID126505487
Molecular FormulaC10H16Br4
Molecular Weight455.85 g/mol
Exact Mass451.80
IUPAC Name1,2,4,5-tetrakis(bromomethyl)cyclohexane
SMILESBrCC1CC(CBr)C(CBr)CC1CBr
InChIInChI=1S/C10H16Br4/c11-3-7-1-8(4-12)10(6-14)2-9(7)5-13/h7-10H,1-6H2
InChIKeyZLSXHMCYGNOHNG-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.85
LogP ≤ 54.82
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)-1,2-bis(bromomethyl)cyclopropane
CID 90178479
2-(bromomethyl)bicyclo[2.1.1]hexane
CID 155821569
trans-(1S,2S)-2-(bromomethyl)cyclopropane-1-carbonitrile
CID 124583373
(1S,2S,4S)-2-(bromomethyl)bicyclo[2.2.1]heptane
CID 12625652
(1S,4R,5S)-5-(bromomethyl)bicyclo[2.2.1]hept-2-ene
CID 99137828
(1S,2S,4S,6S)-6-(bromomethyl)bicyclo[2.2.1]heptan-2-ol
CID 130792617
1-(bromomethyl)-2-(3,3-dimethylbutan-2-yl)cyclopropane
CID 130507145
(1R,2R,5R,7R)-7-(bromomethyl)bicyclo[3.2.1]octan-2-ol
CID 124925363
4-bromo-2-[[(1S,2S)-2-(bromomethyl)cyclopropyl]methoxymethyl]-1-fluorobenzene
CID 59958673
cis-(1S,2S)-1-(bromomethyl)-2-methylcyclohexane
CID 124509523
[(1S,2S)-2-(2-bromoethyl)cyclopropyl]methanol
CID 101162381
2-(bromomethyl)-4-methyl-1-propan-2-ylcyclohexane
CID 66471064

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrakis(bromomethyl)cyclohexane?
The IUPAC name of 1,2,4,5-tetrakis(bromomethyl)cyclohexane (CID 126505487) is 1,2,4,5-tetrakis(bromomethyl)cyclohexane.
What is the SMILES notation for 1,2,4,5-tetrakis(bromomethyl)cyclohexane?
The canonical SMILES for 1,2,4,5-tetrakis(bromomethyl)cyclohexane is BrCC1CC(CBr)C(CBr)CC1CBr.
What is the InChIKey of 1,2,4,5-tetrakis(bromomethyl)cyclohexane?
The InChIKey is ZLSXHMCYGNOHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br4/c11-3-7-1-8(4-12)10(6-14)2-9(7)5-13/h7-10H,1-6H2.
What are the key properties of 1,2,4,5-tetrakis(bromomethyl)cyclohexane?
1,2,4,5-tetrakis(bromomethyl)cyclohexane has a molecular weight of 455.85 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrakis(bromomethyl)cyclohexane is sourced from PubChem (CID 126505487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).