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

C98H142O4S — CID 158307507

About 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

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 (PubChem CID 158307507) has the molecular formula C98H142O4S and a molecular weight of 1416.28 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158307507
• Molecular Formula: C98H142O4S
• Molecular Weight: 1416.28 g/mol
• Exact Mass: 1415.06
• IUPAC Name: 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
• SMILES: C=C1C=CC(C)=C1.C=C1CC=C(C)C1.C=C1CC=C(C)CC1.C=C1CCC(C)C1.C=C1CCC(C)CC1.C=C1Oc2ccc(C)cc2O1.C=S1(=C)CC=C(C)C1.CC1=CCC=C1.CC1CCC(C)C1C.CC1CCCCC1.Cc1ccc2c(c1)OC(C)(C)O2.Cc1ccccc1.Cc1ccccc1
• InChI: InChI=1S/C10H12O2.C9H8O2.C8H16.C8H14.C8H12.C7H12S.C7H12.C7H10.C7H8.C7H14.2C7H8.C6H8/c1-7-4-5-8-9(6-7)12-10(2,3)11-8;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-4-5-7(2)8(6)3;2*1-7-3-5-8(2)6-4-7;1-7-4-5-8(2,3)6-7;3*1-6-3-4-7(2)5-6;3*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h4-6H,1-3H3;3-5H,2H2,1H3;6-8H,4-5H2,1-3H3;8H,1,3-6H2,2H3;5H,1,3-4,6H2,2H3;4H,2-3,5-6H2,1H3;7H,1,3-5H2,2H3;4H,1,3,5H2,2H3;3-5H,1H2,2H3;7H,2-6H2,1H3;2*2-6H,1H3;2,4-5H,3H2,1H3
• InChIKey: GNGMVMLHQROBQK-UHFFFAOYSA-N
• XLogP: 29.64
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1416.28
LogP ≤ 5	29.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C=C1C=CC(C)=C1.C=C1CC=C(C)C1.C=C1CC=C(C)CC1.C=C1CCC(C)C1.C=C1CCC(C)CC1.C=C1Oc2ccc(C)cc2O1.C=S1(=C)CC=C(C)C1.CC1=CCC=C1.CC1CCC(C)C1C.CC1CCCCC1.Cc1ccc2c(c1)OC(C)(C)O2.Cc1ccccc1.Cc1ccccc1.

What is the InChIKey of 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?

The InChIKey is GNGMVMLHQROBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C9H8O2.C8H16.C8H14.C8H12.C7H12S.C7H12.C7H10.C7H8.C7H14.2C7H8.C6H8/c1-7-4-5-8-9(6-7)12-10(2,3)11-8;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-4-5-7(2)8(6)3;2*1-7-3-5-8(2)6-4-7;1-7-4-5-8(2,3)6-7;3*1-6-3-4-7(2)5-6;3*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h4-6H,1-3H3;3-5H,2H2,1H3;6-8H,4-5H2,1-3H3;8H,1,3-6H2,2H3;5H,1,3-4,6H2,2H3;4H,2-3,5-6H2,1H3;7H,1,3-5H2,2H3;4H,1,3,5H2,2H3;3-5H,1H2,2H3;7H,2-6H2,1H3;2*2-6H,1H3;2,4-5H,3H2,1H3.

What are the key properties of 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?

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 has a molecular weight of 1416.28 g/mol, XLogP of 29.64, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158307507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).