methylcyclohexane;1-methyl-4-methylidenecyclohexane;1-methyl-4-methylidenecyclohexene;2-methyl-5-methylidenecyclopenta-1,3-diene;bis(1-methyl-4-methylidenecyclopentene);toluene

C58H84 — CID 159337443

IUPACmethylcyclohexane;1-methyl-4-methylidenecyclohexane;1-methyl-4-methylidenecyclohexene;2-methyl-5-methylidenecyclopenta-1,3-diene;bis(1-methyl-4-methylidenecyclopentene);toluene
SMILESC=C1C=CC(C)=C1.C=C1CC=C(C)C1.C=C1CC=C(C)C1.C=C1CC=C(C)CC1.C=C1CCC(C)CC1.CC1CCCCC1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C8H14.C8H12.2C7H10.C7H8.C7H14.2C7H8/c2*1-7-3-5-8(2)6-4-7;3*1-6-3-4-7(2)5-6;3*1-7-5-3-2-4-6-7/h8H,1,3-6H2,2H3;5H,1,3-4,6H2,2H3;2*4H,1,3,5H2,2H3;3-5H,1H2,2H3;7H,2-6H2,1H3;2*2-6H,1H3
InChIKeyLFSLEQJUDGWIAR-UHFFFAOYSA-N
MW781.31 g/mol
LogP18.63
Rot. Bonds

About methylcyclohexane;1-methyl-4-methylidenecyclohexane;1-methyl-4-methylidenecyclohexene;2-methyl-5-methylidenecyclopenta-1,3-diene;bis(1-methyl-4-methylidenecyclopentene);toluene

methylcyclohexane;1-methyl-4-methylidenecyclohexane;1-methyl-4-methylidenecyclohexene;2-methyl-5-methylidenecyclopenta-1,3-diene;bis(1-methyl-4-methylidenecyclopentene);toluene (PubChem CID 159337443) has the molecular formula C58H84 and a molecular weight of 781.31 g/mol. Its IUPAC name is methylcyclohexane;1-methyl-4-methylidenecyclohexane;1-methyl-4-methylidenecyclohexene;2-methyl-5-methylidenecyclopenta-1,3-diene;bis(1-methyl-4-methylidenecyclopentene);toluene.

Molecular Properties

Compound Namemethylcyclohexane;1-methyl-4-methylidenecyclohexane;1-methyl-4-methylidenecyclohexene;2-methyl-5-methylidenecyclopenta-1,3-diene;bis(1-methyl-4-methylidenecyclopentene);toluene
PubChem CID159337443
Molecular FormulaC58H84
Molecular Weight781.31 g/mol
Exact Mass780.66
IUPAC Namemethylcyclohexane;1-methyl-4-methylidenecyclohexane;1-methyl-4-methylidenecyclohexene;2-methyl-5-methylidenecyclopenta-1,3-diene;bis(1-methyl-4-methylidenecyclopentene);toluene
SMILESC=C1C=CC(C)=C1.C=C1CC=C(C)C1.C=C1CC=C(C)C1.C=C1CC=C(C)CC1.C=C1CCC(C)CC1.CC1CCCCC1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C8H14.C8H12.2C7H10.C7H8.C7H14.2C7H8/c2*1-7-3-5-8(2)6-4-7;3*1-6-3-4-7(2)5-6;3*1-7-5-3-2-4-6-7/h8H,1,3-6H2,2H3;5H,1,3-4,6H2,2H3;2*4H,1,3,5H2,2H3;3-5H,1H2,2H3;7H,2-6H2,1H3;2*2-6H,1H3
InChIKeyLFSLEQJUDGWIAR-UHFFFAOYSA-N
XLogP18.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.31
LogP ≤ 518.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze methylcyclohexane;1-methyl-4-methylidenecyclohexane;1-methyl-4-methylidenecyclohexene;2-methyl-5-methylidenecyclopenta-1,3-diene;bis(1-methyl-4-methylidenecyclopentene);toluene with MolForge

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Related Compounds

methylcyclohexane;3-methyl-1,1-dimethylidenethiophene;5-methyl-2-methylidene-1,3-benzodioxole;1-methyl-4-methylidenecyclohexane;1-methyl-4-methylidenecyclohexene;2-methyl-5-methylidenecyclopenta-1,3-diene;1-methyl-3-methylidenecyclopentane;1-methyl-4-methylidenecyclopentene;toluene;2,2,5-trimethyl-1,3-benzodioxole;1,2,3-trimethylcyclopentane
CID 161256982
methylcyclohexane;2-methylcyclopenta-1,3-diene;3-methyl-1,1-dimethylidene-2,5-dihydrothiophene;5-methyl-2-methylidene-1,3-benzodioxole;1-methyl-4-methylidenecyclohexane;1-methyl-4-methylidenecyclohexene;2-methyl-5-methylidenecyclopenta-1,3-diene;1-methyl-3-methylidenecyclopentane;1-methyl-4-methylidenecyclopentene;toluene;2,2,5-trimethyl-1,3-benzodioxole;1,2,3-trimethylcyclopentane
CID 158307507
methylidenecyclohexane;toluene
CID 174391780
cyclohexene;methylcyclohexane;toluene
CID 158972627
ethane;methylcyclohexane;4-methylphenol;toluene
CID 142029697
ethane;methylcyclohexane;4-methylphenol;toluene
CID 142029696
methylcyclopentane;1,3-xylene
CID 142361462
cyclohexane;formaldehyde;toluene
CID 143236563
ethane;methylcyclohexane;2-methylpyridine;3-methylpyridine;toluene
CID 158414729
bromomethane;chloromethane;1,4-dimethylcyclohexane;ethane;methoxymethane;methylcyclohexane;propane;toluene;undecakis(1,4-xylene)
CID 162039295
1-fluoro-4-methylbenzene;methylcyclobutane;toluene
CID 145168505
oxane;oxolane;toluene
CID 70182101

Frequently Asked Questions

What is the IUPAC name of methylcyclohexane;1-methyl-4-methylidenecyclohexane;1-methyl-4-methylidenecyclohexene;2-methyl-5-methylidenecyclopenta-1,3-diene;bis(1-methyl-4-methylidenecyclopentene);toluene?
The IUPAC name of methylcyclohexane;1-methyl-4-methylidenecyclohexane;1-methyl-4-methylidenecyclohexene;2-methyl-5-methylidenecyclopenta-1,3-diene;bis(1-methyl-4-methylidenecyclopentene);toluene (CID 159337443) is methylcyclohexane;1-methyl-4-methylidenecyclohexane;1-methyl-4-methylidenecyclohexene;2-methyl-5-methylidenecyclopenta-1,3-diene;bis(1-methyl-4-methylidenecyclopentene);toluene.
What is the SMILES notation for methylcyclohexane;1-methyl-4-methylidenecyclohexane;1-methyl-4-methylidenecyclohexene;2-methyl-5-methylidenecyclopenta-1,3-diene;bis(1-methyl-4-methylidenecyclopentene);toluene?
The canonical SMILES for methylcyclohexane;1-methyl-4-methylidenecyclohexane;1-methyl-4-methylidenecyclohexene;2-methyl-5-methylidenecyclopenta-1,3-diene;bis(1-methyl-4-methylidenecyclopentene);toluene is C=C1C=CC(C)=C1.C=C1CC=C(C)C1.C=C1CC=C(C)C1.C=C1CC=C(C)CC1.C=C1CCC(C)CC1.CC1CCCCC1.Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of methylcyclohexane;1-methyl-4-methylidenecyclohexane;1-methyl-4-methylidenecyclohexene;2-methyl-5-methylidenecyclopenta-1,3-diene;bis(1-methyl-4-methylidenecyclopentene);toluene?
The InChIKey is LFSLEQJUDGWIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.C8H12.2C7H10.C7H8.C7H14.2C7H8/c2*1-7-3-5-8(2)6-4-7;3*1-6-3-4-7(2)5-6;3*1-7-5-3-2-4-6-7/h8H,1,3-6H2,2H3;5H,1,3-4,6H2,2H3;2*4H,1,3,5H2,2H3;3-5H,1H2,2H3;7H,2-6H2,1H3;2*2-6H,1H3.
What are the key properties of methylcyclohexane;1-methyl-4-methylidenecyclohexane;1-methyl-4-methylidenecyclohexene;2-methyl-5-methylidenecyclopenta-1,3-diene;bis(1-methyl-4-methylidenecyclopentene);toluene?
methylcyclohexane;1-methyl-4-methylidenecyclohexane;1-methyl-4-methylidenecyclohexene;2-methyl-5-methylidenecyclopenta-1,3-diene;bis(1-methyl-4-methylidenecyclopentene);toluene has a molecular weight of 781.31 g/mol, XLogP of 18.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclohexane;1-methyl-4-methylidenecyclohexane;1-methyl-4-methylidenecyclohexene;2-methyl-5-methylidenecyclopenta-1,3-diene;bis(1-methyl-4-methylidenecyclopentene);toluene is sourced from PubChem (CID 159337443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).