1-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-3,5-dimethylbenzene

C19H29Br — CID 64766276

IUPAC1-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(CC(C)(C)C2CCC(C)CC2Br)c1
InChIInChI=1S/C19H29Br/c1-13-6-7-17(18(20)11-13)19(4,5)12-16-9-14(2)8-15(3)10-16/h8-10,13,17-18H,6-7,11-12H2,1-5H3
InChIKeyPNIRGADLNARICR-UHFFFAOYSA-N
MW337.35 g/mol
LogP6.07
Rot. Bonds3

About 1-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-3,5-dimethylbenzene

1-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-3,5-dimethylbenzene (PubChem CID 64766276) has the molecular formula C19H29Br and a molecular weight of 337.35 g/mol. Its IUPAC name is 1-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-3,5-dimethylbenzene
PubChem CID64766276
Molecular FormulaC19H29Br
Molecular Weight337.35 g/mol
Exact Mass336.15
IUPAC Name1-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(CC(C)(C)C2CCC(C)CC2Br)c1
InChIInChI=1S/C19H29Br/c1-13-6-7-17(18(20)11-13)19(4,5)12-16-9-14(2)8-15(3)10-16/h8-10,13,17-18H,6-7,11-12H2,1-5H3
InChIKeyPNIRGADLNARICR-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.35
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-3,5-dimethylbenzene?
The IUPAC name of 1-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-3,5-dimethylbenzene (CID 64766276) is 1-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-3,5-dimethylbenzene is Cc1cc(C)cc(CC(C)(C)C2CCC(C)CC2Br)c1.
What is the InChIKey of 1-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-3,5-dimethylbenzene?
The InChIKey is PNIRGADLNARICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29Br/c1-13-6-7-17(18(20)11-13)19(4,5)12-16-9-14(2)8-15(3)10-16/h8-10,13,17-18H,6-7,11-12H2,1-5H3.
What are the key properties of 1-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-3,5-dimethylbenzene?
1-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-3,5-dimethylbenzene has a molecular weight of 337.35 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-3,5-dimethylbenzene is sourced from PubChem (CID 64766276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).