1-bromo-4-(4-cyclobutylcyclohexen-1-yl)benzene;1-cyclobutyl-4-methylbenzene;1-(cyclopenten-1-yl)-4-methylbenzene;1-(4-cyclopentylcyclohexen-1-yl)-4-methylbenzene;methane

C58H75Br — CID 161342828

IUPAC1-bromo-4-(4-cyclobutylcyclohexen-1-yl)benzene;1-cyclobutyl-4-methylbenzene;1-(cyclopenten-1-yl)-4-methylbenzene;1-(4-cyclopentylcyclohexen-1-yl)-4-methylbenzene;methane
SMILESBrc1ccc(C2=CCC(C3CCC3)CC2)cc1.C.Cc1ccc(C2=CCC(C3CCCC3)CC2)cc1.Cc1ccc(C2=CCCC2)cc1.Cc1ccc(C2CCC2)cc1
InChIInChI=1S/C18H24.C16H19Br.C12H14.C11H14.CH4/c1-14-6-8-16(9-7-14)18-12-10-17(11-13-18)15-4-2-3-5-15;17-16-10-8-15(9-11-16)14-6-4-13(5-7-14)12-2-1-3-12;1-10-6-8-12(9-7-10)11-4-2-3-5-11;1-9-5-7-11(8-6-9)10-3-2-4-10;/h6-9,12,15,17H,2-5,10-11,13H2,1H3;6,8-13H,1-5,7H2;4,6-9H,2-3,5H2,1H3;5-8,10H,2-4H2,1H3;1H4
InChIKeyVMXAGTFKPLFCBT-UHFFFAOYSA-N
MW852.14 g/mol
LogP18.26
Rot. Bonds6

About 1-bromo-4-(4-cyclobutylcyclohexen-1-yl)benzene;1-cyclobutyl-4-methylbenzene;1-(cyclopenten-1-yl)-4-methylbenzene;1-(4-cyclopentylcyclohexen-1-yl)-4-methylbenzene;methane

1-bromo-4-(4-cyclobutylcyclohexen-1-yl)benzene;1-cyclobutyl-4-methylbenzene;1-(cyclopenten-1-yl)-4-methylbenzene;1-(4-cyclopentylcyclohexen-1-yl)-4-methylbenzene;methane (PubChem CID 161342828) has the molecular formula C58H75Br and a molecular weight of 852.14 g/mol. Its IUPAC name is 1-bromo-4-(4-cyclobutylcyclohexen-1-yl)benzene;1-cyclobutyl-4-methylbenzene;1-(cyclopenten-1-yl)-4-methylbenzene;1-(4-cyclopentylcyclohexen-1-yl)-4-methylbenzene;methane.

Molecular Properties

Compound Name1-bromo-4-(4-cyclobutylcyclohexen-1-yl)benzene;1-cyclobutyl-4-methylbenzene;1-(cyclopenten-1-yl)-4-methylbenzene;1-(4-cyclopentylcyclohexen-1-yl)-4-methylbenzene;methane
PubChem CID161342828
Molecular FormulaC58H75Br
Molecular Weight852.14 g/mol
Exact Mass850.51
IUPAC Name1-bromo-4-(4-cyclobutylcyclohexen-1-yl)benzene;1-cyclobutyl-4-methylbenzene;1-(cyclopenten-1-yl)-4-methylbenzene;1-(4-cyclopentylcyclohexen-1-yl)-4-methylbenzene;methane
SMILESBrc1ccc(C2=CCC(C3CCC3)CC2)cc1.C.Cc1ccc(C2=CCC(C3CCCC3)CC2)cc1.Cc1ccc(C2=CCCC2)cc1.Cc1ccc(C2CCC2)cc1
InChIInChI=1S/C18H24.C16H19Br.C12H14.C11H14.CH4/c1-14-6-8-16(9-7-14)18-12-10-17(11-13-18)15-4-2-3-5-15;17-16-10-8-15(9-11-16)14-6-4-13(5-7-14)12-2-1-3-12;1-10-6-8-12(9-7-10)11-4-2-3-5-11;1-9-5-7-11(8-6-9)10-3-2-4-10;/h6-9,12,15,17H,2-5,10-11,13H2,1H3;6,8-13H,1-5,7H2;4,6-9H,2-3,5H2,1H3;5-8,10H,2-4H2,1H3;1H4
InChIKeyVMXAGTFKPLFCBT-UHFFFAOYSA-N
XLogP18.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.14
LogP ≤ 518.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-4-(4-cyclobutylcyclohexen-1-yl)benzene;1-cyclobutyl-4-methylbenzene;1-(cyclopenten-1-yl)-4-methylbenzene;1-(4-cyclopentylcyclohexen-1-yl)-4-methylbenzene;methane with MolForge

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Related Compounds

1-bromo-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]benzene
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CID 57247187
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CID 139920230
1-cyclohexyl-4-(4-methylphenyl)benzene
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1-cyclohexyl-4-methylbenzene;methoxymethane
CID 143168317
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CID 164862835
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1-cyclohexyl-4-methylbenzene;toluene
CID 143243711
4-(4-cyclobutylphenyl)-1,2,3,6-tetrahydropyridine
CID 116506684
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CID 63424368

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-cyclobutylcyclohexen-1-yl)benzene;1-cyclobutyl-4-methylbenzene;1-(cyclopenten-1-yl)-4-methylbenzene;1-(4-cyclopentylcyclohexen-1-yl)-4-methylbenzene;methane?
The IUPAC name of 1-bromo-4-(4-cyclobutylcyclohexen-1-yl)benzene;1-cyclobutyl-4-methylbenzene;1-(cyclopenten-1-yl)-4-methylbenzene;1-(4-cyclopentylcyclohexen-1-yl)-4-methylbenzene;methane (CID 161342828) is 1-bromo-4-(4-cyclobutylcyclohexen-1-yl)benzene;1-cyclobutyl-4-methylbenzene;1-(cyclopenten-1-yl)-4-methylbenzene;1-(4-cyclopentylcyclohexen-1-yl)-4-methylbenzene;methane.
What is the SMILES notation for 1-bromo-4-(4-cyclobutylcyclohexen-1-yl)benzene;1-cyclobutyl-4-methylbenzene;1-(cyclopenten-1-yl)-4-methylbenzene;1-(4-cyclopentylcyclohexen-1-yl)-4-methylbenzene;methane?
The canonical SMILES for 1-bromo-4-(4-cyclobutylcyclohexen-1-yl)benzene;1-cyclobutyl-4-methylbenzene;1-(cyclopenten-1-yl)-4-methylbenzene;1-(4-cyclopentylcyclohexen-1-yl)-4-methylbenzene;methane is Brc1ccc(C2=CCC(C3CCC3)CC2)cc1.C.Cc1ccc(C2=CCC(C3CCCC3)CC2)cc1.Cc1ccc(C2=CCCC2)cc1.Cc1ccc(C2CCC2)cc1.
What is the InChIKey of 1-bromo-4-(4-cyclobutylcyclohexen-1-yl)benzene;1-cyclobutyl-4-methylbenzene;1-(cyclopenten-1-yl)-4-methylbenzene;1-(4-cyclopentylcyclohexen-1-yl)-4-methylbenzene;methane?
The InChIKey is VMXAGTFKPLFCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24.C16H19Br.C12H14.C11H14.CH4/c1-14-6-8-16(9-7-14)18-12-10-17(11-13-18)15-4-2-3-5-15;17-16-10-8-15(9-11-16)14-6-4-13(5-7-14)12-2-1-3-12;1-10-6-8-12(9-7-10)11-4-2-3-5-11;1-9-5-7-11(8-6-9)10-3-2-4-10;/h6-9,12,15,17H,2-5,10-11,13H2,1H3;6,8-13H,1-5,7H2;4,6-9H,2-3,5H2,1H3;5-8,10H,2-4H2,1H3;1H4.
What are the key properties of 1-bromo-4-(4-cyclobutylcyclohexen-1-yl)benzene;1-cyclobutyl-4-methylbenzene;1-(cyclopenten-1-yl)-4-methylbenzene;1-(4-cyclopentylcyclohexen-1-yl)-4-methylbenzene;methane?
1-bromo-4-(4-cyclobutylcyclohexen-1-yl)benzene;1-cyclobutyl-4-methylbenzene;1-(cyclopenten-1-yl)-4-methylbenzene;1-(4-cyclopentylcyclohexen-1-yl)-4-methylbenzene;methane has a molecular weight of 852.14 g/mol, XLogP of 18.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-cyclobutylcyclohexen-1-yl)benzene;1-cyclobutyl-4-methylbenzene;1-(cyclopenten-1-yl)-4-methylbenzene;1-(4-cyclopentylcyclohexen-1-yl)-4-methylbenzene;methane is sourced from PubChem (CID 161342828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).