1,2,4-tribromo-4-(2-bromopropan-2-yl)-1-methylcyclohexane

C10H16Br4 — CID 86208820

IUPAC1,2,4-tribromo-4-(2-bromopropan-2-yl)-1-methylcyclohexane
SMILESCC1(Br)CCC(Br)(C(C)(C)Br)CC1Br
InChIInChI=1S/C10H16Br4/c1-8(2,12)10(14)5-4-9(3,13)7(11)6-10/h7H,4-6H2,1-3H3
InChIKeyXGSGNCUEBHLAIQ-UHFFFAOYSA-N
MW455.85 g/mol
LogP5.39
Rot. Bonds1

About 1,2,4-tribromo-4-(2-bromopropan-2-yl)-1-methylcyclohexane

1,2,4-tribromo-4-(2-bromopropan-2-yl)-1-methylcyclohexane (PubChem CID 86208820) has the molecular formula C10H16Br4 and a molecular weight of 455.85 g/mol. Its IUPAC name is 1,2,4-tribromo-4-(2-bromopropan-2-yl)-1-methylcyclohexane.

Molecular Properties

Compound Name1,2,4-tribromo-4-(2-bromopropan-2-yl)-1-methylcyclohexane
PubChem CID86208820
Molecular FormulaC10H16Br4
Molecular Weight455.85 g/mol
Exact Mass451.80
IUPAC Name1,2,4-tribromo-4-(2-bromopropan-2-yl)-1-methylcyclohexane
SMILESCC1(Br)CCC(Br)(C(C)(C)Br)CC1Br
InChIInChI=1S/C10H16Br4/c1-8(2,12)10(14)5-4-9(3,13)7(11)6-10/h7H,4-6H2,1-3H3
InChIKeyXGSGNCUEBHLAIQ-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.85
LogP ≤ 55.39
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,2R,4S)-1,2-dibromo-4-[(2S)-1,2-dibromopropan-2-yl]-1-methylcyclohexane
CID 124934804
1,2-dibromo-1-methyl-4-(1,1,2-tribromopropan-2-yl)cyclohexane
CID 102242408
(1S,2R,4S)-1,2-dibromo-4-[(2R)-1,2-dibromopropan-2-yl]-1-methylcyclohexane
CID 124934803
1,2-dibromo-1-methylcyclooctane
CID 18443823
2-tert-butyl-2-methyl-3,4-dihydropyrrole
CID 172692959
(2-bromo-1-methylcyclopropyl)-trimethylsilane
CID 67276788
3,4-dibromo-3,7,7-trimethylbicyclo[4.1.0]heptane
CID 13148708
(3,4-dibromo-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl)-trimethylsilane
CID 12696395
6-bromo-2-tert-butyl-2-methylcyclohexan-1-one
CID 90138291
N-[2-(3,4-dibromo-4-methylcyclohexyl)propan-2-yl]benzamide
CID 570927
3-bromo-3-tert-butylcyclohexa-1,4-diene
CID 67100558
(1R,3S,4S)-4-bromo-1-[(1R,3S)-3-bromo-1,2,2-trimethylcyclopentyl]-3-chloro-4-methylcyclohexan-1-ol
CID 76900357

Frequently Asked Questions

What is the IUPAC name of 1,2,4-tribromo-4-(2-bromopropan-2-yl)-1-methylcyclohexane?
The IUPAC name of 1,2,4-tribromo-4-(2-bromopropan-2-yl)-1-methylcyclohexane (CID 86208820) is 1,2,4-tribromo-4-(2-bromopropan-2-yl)-1-methylcyclohexane.
What is the SMILES notation for 1,2,4-tribromo-4-(2-bromopropan-2-yl)-1-methylcyclohexane?
The canonical SMILES for 1,2,4-tribromo-4-(2-bromopropan-2-yl)-1-methylcyclohexane is CC1(Br)CCC(Br)(C(C)(C)Br)CC1Br.
What is the InChIKey of 1,2,4-tribromo-4-(2-bromopropan-2-yl)-1-methylcyclohexane?
The InChIKey is XGSGNCUEBHLAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br4/c1-8(2,12)10(14)5-4-9(3,13)7(11)6-10/h7H,4-6H2,1-3H3.
What are the key properties of 1,2,4-tribromo-4-(2-bromopropan-2-yl)-1-methylcyclohexane?
1,2,4-tribromo-4-(2-bromopropan-2-yl)-1-methylcyclohexane has a molecular weight of 455.85 g/mol, XLogP of 5.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-tribromo-4-(2-bromopropan-2-yl)-1-methylcyclohexane is sourced from PubChem (CID 86208820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).