3,3-dimethylcyclohepta-1,4-diene;5,5-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,4-diene;1,1-dimethylcycloheptane;7,7-dimethylcyclohepta-1,3,5-triene;3,3-dimethylcycloheptene;4,4-dimethylcycloheptene;5,5-dimethylcycloheptene

C81H134 — CID 159502022

About 3,3-dimethylcyclohepta-1,4-diene;5,5-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,4-diene;1,1-dimethylcycloheptane;7,7-dimethylcyclohepta-1,3,5-triene;3,3-dimethylcycloheptene;4,4-dimethylcycloheptene;5,5-dimethylcycloheptene

3,3-dimethylcyclohepta-1,4-diene;5,5-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,4-diene;1,1-dimethylcycloheptane;7,7-dimethylcyclohepta-1,3,5-triene;3,3-dimethylcycloheptene;4,4-dimethylcycloheptene;5,5-dimethylcycloheptene (PubChem CID 159502022) has the molecular formula C81H134 and a molecular weight of 1107.96 g/mol. Its IUPAC name is 3,3-dimethylcyclohepta-1,4-diene;5,5-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,4-diene;1,1-dimethylcycloheptane;7,7-dimethylcyclohepta-1,3,5-triene;3,3-dimethylcycloheptene;4,4-dimethylcycloheptene;5,5-dimethylcycloheptene.

Molecular Properties

• Compound Name: 3,3-dimethylcyclohepta-1,4-diene;5,5-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,4-diene;1,1-dimethylcycloheptane;7,7-dimethylcyclohepta-1,3,5-triene;3,3-dimethylcycloheptene;4,4-dimethylcycloheptene;5,5-dimethylcycloheptene
• PubChem CID: 159502022
• Molecular Formula: C81H134
• Molecular Weight: 1107.96 g/mol
• Exact Mass: 1107.05
• IUPAC Name: 3,3-dimethylcyclohepta-1,4-diene;5,5-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,4-diene;1,1-dimethylcycloheptane;7,7-dimethylcyclohepta-1,3,5-triene;3,3-dimethylcycloheptene;4,4-dimethylcycloheptene;5,5-dimethylcycloheptene
• SMILES: CC1(C)C=CC=CC=C1.CC1(C)C=CC=CCC1.CC1(C)C=CCC=CC1.CC1(C)C=CCCC=C1.CC1(C)C=CCCCC1.CC1(C)CC=CC=CC1.CC1(C)CC=CCCC1.CC1(C)CCC=CCC1.CC1(C)CCCCCC1
• InChI: InChI=1S/C9H18.3C9H16.4C9H14.C9H12/c9*1-9(2)7-5-3-4-6-8-9/h3-8H2,1-2H3;5,7H,3-4,6,8H2,1-2H3;3,5H,4,6-8H2,1-2H3;3-4H,5-8H2,1-2H3;5-8H,3-4H2,1-2H3;3,5-6,8H,4,7H2,1-2H3;3-5,7H,6,8H2,1-2H3;3-6H,7-8H2,1-2H3;3-8H,1-2H3
• InChIKey: LZMXFFBTSMAXCM-UHFFFAOYSA-N
• XLogP: 27.17
• TPSA: 0.00 Ų
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1107.96
LogP ≤ 5	27.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylcyclohepta-1,4-diene;5,5-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,4-diene;1,1-dimethylcycloheptane;7,7-dimethylcyclohepta-1,3,5-triene;3,3-dimethylcycloheptene;4,4-dimethylcycloheptene;5,5-dimethylcycloheptene?

The IUPAC name of 3,3-dimethylcyclohepta-1,4-diene;5,5-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,4-diene;1,1-dimethylcycloheptane;7,7-dimethylcyclohepta-1,3,5-triene;3,3-dimethylcycloheptene;4,4-dimethylcycloheptene;5,5-dimethylcycloheptene (CID 159502022) is 3,3-dimethylcyclohepta-1,4-diene;5,5-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,4-diene;1,1-dimethylcycloheptane;7,7-dimethylcyclohepta-1,3,5-triene;3,3-dimethylcycloheptene;4,4-dimethylcycloheptene;5,5-dimethylcycloheptene.

What is the SMILES notation for 3,3-dimethylcyclohepta-1,4-diene;5,5-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,4-diene;1,1-dimethylcycloheptane;7,7-dimethylcyclohepta-1,3,5-triene;3,3-dimethylcycloheptene;4,4-dimethylcycloheptene;5,5-dimethylcycloheptene?

The canonical SMILES for 3,3-dimethylcyclohepta-1,4-diene;5,5-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,4-diene;1,1-dimethylcycloheptane;7,7-dimethylcyclohepta-1,3,5-triene;3,3-dimethylcycloheptene;4,4-dimethylcycloheptene;5,5-dimethylcycloheptene is CC1(C)C=CC=CC=C1.CC1(C)C=CC=CCC1.CC1(C)C=CCC=CC1.CC1(C)C=CCCC=C1.CC1(C)C=CCCCC1.CC1(C)CC=CC=CC1.CC1(C)CC=CCCC1.CC1(C)CCC=CCC1.CC1(C)CCCCCC1.

What is the InChIKey of 3,3-dimethylcyclohepta-1,4-diene;5,5-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,4-diene;1,1-dimethylcycloheptane;7,7-dimethylcyclohepta-1,3,5-triene;3,3-dimethylcycloheptene;4,4-dimethylcycloheptene;5,5-dimethylcycloheptene?

The InChIKey is LZMXFFBTSMAXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.3C9H16.4C9H14.C9H12/c9*1-9(2)7-5-3-4-6-8-9/h3-8H2,1-2H3;5,7H,3-4,6,8H2,1-2H3;3,5H,4,6-8H2,1-2H3;3-4H,5-8H2,1-2H3;5-8H,3-4H2,1-2H3;3,5-6,8H,4,7H2,1-2H3;3-5,7H,6,8H2,1-2H3;3-6H,7-8H2,1-2H3;3-8H,1-2H3.

What are the key properties of 3,3-dimethylcyclohepta-1,4-diene;5,5-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,4-diene;1,1-dimethylcycloheptane;7,7-dimethylcyclohepta-1,3,5-triene;3,3-dimethylcycloheptene;4,4-dimethylcycloheptene;5,5-dimethylcycloheptene?

3,3-dimethylcyclohepta-1,4-diene;5,5-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,4-diene;1,1-dimethylcycloheptane;7,7-dimethylcyclohepta-1,3,5-triene;3,3-dimethylcycloheptene;4,4-dimethylcycloheptene;5,5-dimethylcycloheptene has a molecular weight of 1107.96 g/mol, XLogP of 27.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethylcyclohepta-1,4-diene;5,5-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,3-diene;6,6-dimethylcyclohepta-1,4-diene;1,1-dimethylcycloheptane;7,7-dimethylcyclohepta-1,3,5-triene;3,3-dimethylcycloheptene;4,4-dimethylcycloheptene;5,5-dimethylcycloheptene is sourced from PubChem (CID 159502022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).