2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexa-1,3-diene;1-methyl-4-propan-2-ylcyclohexa-1,4-diene;1-methyl-4-propan-2-ylidenecyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

C126H204O7 — CID 158848487

About 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexa-1,3-diene;1-methyl-4-propan-2-ylcyclohexa-1,4-diene;1-methyl-4-propan-2-ylidenecyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexa-1,3-diene;1-methyl-4-propan-2-ylcyclohexa-1,4-diene;1-methyl-4-propan-2-ylidenecyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene (PubChem CID 158848487) has the molecular formula C126H204O7 and a molecular weight of 1831.01 g/mol. Its IUPAC name is 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexa-1,3-diene;1-methyl-4-propan-2-ylcyclohexa-1,4-diene;1-methyl-4-propan-2-ylidenecyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene.

Molecular Properties

• Compound Name: 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexa-1,3-diene;1-methyl-4-propan-2-ylcyclohexa-1,4-diene;1-methyl-4-propan-2-ylidenecyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
• PubChem CID: 158848487
• Molecular Formula: C126H204O7
• Molecular Weight: 1831.01 g/mol
• Exact Mass: 1829.56
• IUPAC Name: 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexa-1,3-diene;1-methyl-4-propan-2-ylcyclohexa-1,4-diene;1-methyl-4-propan-2-ylidenecyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
• SMILES: C=C(C)C1CC=C(C)CC1.C=C1C2CCC(C2)C1(C)C.C=C1CCC2CC1C2(C)C.CC(=O)OC(C)(C)C1CC=C(C)CC1.CC(=O)OC1C2(C)CCC(C2)C1(C)C.CC(=O)OC1CC2CCC1(C)C2(C)C.CC1=CC=C(C(C)C)CC1.CC1=CCC(=C(C)C)CC1.CC1=CCC(C(C)(C)O)CC1.CC1=CCC(C(C)C)=CC1.CC1=CCC2CC1C2(C)C.Cc1ccc(C(C)C)cc1
• InChI: InChI=1S/3C12H20O2.C10H18O.7C10H16.C10H14/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9;1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3;1-9-5-7-11(8-6-9)12(3,4)14-10(2)13;1-8-4-6-9(7-5-8)10(2,3)11;1-7-8-4-5-9(6-8)10(7,2)3;2*1-7-4-5-8-6-9(7)10(8,2)3;5*1-8(2)10-6-4-9(3)5-7-10/h2*9-10H,5-7H2,1-4H3;5,11H,6-8H2,1-4H3;4,9,11H,5-7H2,1-3H3;8-9H,1,4-6H2,2-3H3;4,8-9H,5-6H2,1-3H3;8-9H,1,4-6H2,2-3H3;4H,5-7H2,1-3H3;4,7-8H,5-6H2,1-3H3;4,6,8H,5,7H2,1-3H3;4,10H,1,5-7H2,2-3H3;4-8H,1-3H3
• InChIKey: IZDIMWKVFDFAOB-UHFFFAOYSA-N
• XLogP: 36.60
• TPSA: 99.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1831.01
LogP ≤ 5	36.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexa-1,3-diene;1-methyl-4-propan-2-ylcyclohexa-1,4-diene;1-methyl-4-propan-2-ylidenecyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene?

The IUPAC name of 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexa-1,3-diene;1-methyl-4-propan-2-ylcyclohexa-1,4-diene;1-methyl-4-propan-2-ylidenecyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene (CID 158848487) is 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexa-1,3-diene;1-methyl-4-propan-2-ylcyclohexa-1,4-diene;1-methyl-4-propan-2-ylidenecyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene.

What is the SMILES notation for 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexa-1,3-diene;1-methyl-4-propan-2-ylcyclohexa-1,4-diene;1-methyl-4-propan-2-ylidenecyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene?

The canonical SMILES for 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexa-1,3-diene;1-methyl-4-propan-2-ylcyclohexa-1,4-diene;1-methyl-4-propan-2-ylidenecyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene is C=C(C)C1CC=C(C)CC1.C=C1C2CCC(C2)C1(C)C.C=C1CCC2CC1C2(C)C.CC(=O)OC(C)(C)C1CC=C(C)CC1.CC(=O)OC1C2(C)CCC(C2)C1(C)C.CC(=O)OC1CC2CCC1(C)C2(C)C.CC1=CC=C(C(C)C)CC1.CC1=CCC(=C(C)C)CC1.CC1=CCC(C(C)(C)O)CC1.CC1=CCC(C(C)C)=CC1.CC1=CCC2CC1C2(C)C.Cc1ccc(C(C)C)cc1.

What is the InChIKey of 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexa-1,3-diene;1-methyl-4-propan-2-ylcyclohexa-1,4-diene;1-methyl-4-propan-2-ylidenecyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene?

The InChIKey is IZDIMWKVFDFAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H20O2.C10H18O.7C10H16.C10H14/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9;1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3;1-9-5-7-11(8-6-9)12(3,4)14-10(2)13;1-8-4-6-9(7-5-8)10(2,3)11;1-7-8-4-5-9(6-8)10(7,2)3;2*1-7-4-5-8-6-9(7)10(8,2)3;5*1-8(2)10-6-4-9(3)5-7-10/h2*9-10H,5-7H2,1-4H3;5,11H,6-8H2,1-4H3;4,9,11H,5-7H2,1-3H3;8-9H,1,4-6H2,2-3H3;4,8-9H,5-6H2,1-3H3;8-9H,1,4-6H2,2-3H3;4H,5-7H2,1-3H3;4,7-8H,5-6H2,1-3H3;4,6,8H,5,7H2,1-3H3;4,10H,1,5-7H2,2-3H3;4-8H,1-3H3.

What are the key properties of 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexa-1,3-diene;1-methyl-4-propan-2-ylcyclohexa-1,4-diene;1-methyl-4-propan-2-ylidenecyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene?

2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexa-1,3-diene;1-methyl-4-propan-2-ylcyclohexa-1,4-diene;1-methyl-4-propan-2-ylidenecyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene has a molecular weight of 1831.01 g/mol, XLogP of 36.60, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexa-1,3-diene;1-methyl-4-propan-2-ylcyclohexa-1,4-diene;1-methyl-4-propan-2-ylidenecyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene is sourced from PubChem (CID 158848487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).