1-bromo-4-methylcyclohexane;ethane

C9H19Br — CID 91482050

IUPAC1-bromo-4-methylcyclohexane;ethane
SMILESCC.CC1CCC(Br)CC1
InChIInChI=1S/C7H13Br.C2H6/c1-6-2-4-7(8)5-3-6;1-2/h6-7H,2-5H2,1H3;1-2H3
InChIKeyRJDMUBSSWFOURH-UHFFFAOYSA-N
MW207.15 g/mol
LogP3.99
Rot. Bonds

About 1-bromo-4-methylcyclohexane;ethane

1-bromo-4-methylcyclohexane;ethane (PubChem CID 91482050) has the molecular formula C9H19Br and a molecular weight of 207.15 g/mol. Its IUPAC name is 1-bromo-4-methylcyclohexane;ethane.

Molecular Properties

Compound Name1-bromo-4-methylcyclohexane;ethane
PubChem CID91482050
Molecular FormulaC9H19Br
Molecular Weight207.15 g/mol
Exact Mass206.07
IUPAC Name1-bromo-4-methylcyclohexane;ethane
SMILESCC.CC1CCC(Br)CC1
InChIInChI=1S/C7H13Br.C2H6/c1-6-2-4-7(8)5-3-6;1-2/h6-7H,2-5H2,1H3;1-2H3
InChIKeyRJDMUBSSWFOURH-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 53.99
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

1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311
ethane;methylcyclopropane
CID 158329065
1,4,7,10-tetrabromocyclododecane
CID 101410229
bis(1,4-dimethylcyclohexane);methane
CID 161326462
ethane;methane;methylcyclopropane
CID 159551011
1-[(3-bromocyclopentyl)methyl]-4-methylcyclohexane
CID 130596699
1,4-dimethylcyclohexane;methanol
CID 70358527
tris(1,4-dimethylcyclohexane);methane;yttrium
CID 165073168
cyclobutane;ethane;methylcyclopropane
CID 143875535
1,4-dimethylcyclohexane;ethane;methane;propane
CID 143683179
tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen
CID 160864488
tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide
CID 160985954

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methylcyclohexane;ethane?
The IUPAC name of 1-bromo-4-methylcyclohexane;ethane (CID 91482050) is 1-bromo-4-methylcyclohexane;ethane.
What is the SMILES notation for 1-bromo-4-methylcyclohexane;ethane?
The canonical SMILES for 1-bromo-4-methylcyclohexane;ethane is CC.CC1CCC(Br)CC1.
What is the InChIKey of 1-bromo-4-methylcyclohexane;ethane?
The InChIKey is RJDMUBSSWFOURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Br.C2H6/c1-6-2-4-7(8)5-3-6;1-2/h6-7H,2-5H2,1H3;1-2H3.
What are the key properties of 1-bromo-4-methylcyclohexane;ethane?
1-bromo-4-methylcyclohexane;ethane has a molecular weight of 207.15 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methylcyclohexane;ethane is sourced from PubChem (CID 91482050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).