6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene

C40H70 — CID 158508884

About 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene

6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene (PubChem CID 158508884) has the molecular formula C40H70 and a molecular weight of 551.00 g/mol. Its IUPAC name is 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

• Compound Name: 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene
• PubChem CID: 158508884
• Molecular Formula: C40H70
• Molecular Weight: 551.00 g/mol
• Exact Mass: 550.55
• IUPAC Name: 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene
• SMILES: C=C(C)C1CC=C(C)CC1.C=C1CCC2CC1C2(C)C.CC1CC=C(C(C)C)CC1.CC1CCC(C(C)C)CC1
• InChI: InChI=1S/C10H16.C10H20.C10H18.C10H16/c1-7-4-5-8-6-9(7)10(8,2)3;3*1-8(2)10-6-4-9(3)5-7-10/h8-9H,1,4-6H2,2-3H3;8-10H,4-7H2,1-3H3;6,8-9H,4-5,7H2,1-3H3;4,10H,1,5-7H2,2-3H3
• InChIKey: HKUMBSPNOVCZNN-UHFFFAOYSA-N
• XLogP: 13.17
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.00
LogP ≤ 5	13.17
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 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene?

The IUPAC name of 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene (CID 158508884) is 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene.

What is the SMILES notation for 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene?

The canonical SMILES for 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene is C=C(C)C1CC=C(C)CC1.C=C1CCC2CC1C2(C)C.CC1CC=C(C(C)C)CC1.CC1CCC(C(C)C)CC1.

What is the InChIKey of 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene?

The InChIKey is HKUMBSPNOVCZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C10H20.C10H18.C10H16/c1-7-4-5-8-6-9(7)10(8,2)3;3*1-8(2)10-6-4-9(3)5-7-10/h8-9H,1,4-6H2,2-3H3;8-10H,4-7H2,1-3H3;6,8-9H,4-5,7H2,1-3H3;4,10H,1,5-7H2,2-3H3.

What are the key properties of 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene?

6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene has a molecular weight of 551.00 g/mol, XLogP of 13.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 158508884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).