7-methyl-4-(2-methylidenecyclopropyl)-2-[3-methyl-5-(2-methylcyclobutyl)-4-[2-methyl-3-methylidene-2-[3-(2-methylidenecyclopropyl)prop-1-enyl]cyclopropyl]penta-2,4-dien-2-yl]-3-(1-methyl-2-methylidene-3-prop-1-enylcyclopropyl)bicyclo[4.2.0]octa-2,4-diene

C44H56 — CID 123987111

About 7-methyl-4-(2-methylidenecyclopropyl)-2-[3-methyl-5-(2-methylcyclobutyl)-4-[2-methyl-3-methylidene-2-[3-(2-methylidenecyclopropyl)prop-1-enyl]cyclopropyl]penta-2,4-dien-2-yl]-3-(1-methyl-2-methylidene-3-prop-1-enylcyclopropyl)bicyclo[4.2.0]octa-2,4-diene

7-methyl-4-(2-methylidenecyclopropyl)-2-[3-methyl-5-(2-methylcyclobutyl)-4-[2-methyl-3-methylidene-2-[3-(2-methylidenecyclopropyl)prop-1-enyl]cyclopropyl]penta-2,4-dien-2-yl]-3-(1-methyl-2-methylidene-3-prop-1-enylcyclopropyl)bicyclo[4.2.0]octa-2,4-diene (PubChem CID 123987111) has the molecular formula C44H56 and a molecular weight of 584.93 g/mol. Its IUPAC name is 7-methyl-4-(2-methylidenecyclopropyl)-2-[3-methyl-5-(2-methylcyclobutyl)-4-[2-methyl-3-methylidene-2-[3-(2-methylidenecyclopropyl)prop-1-enyl]cyclopropyl]penta-2,4-dien-2-yl]-3-(1-methyl-2-methylidene-3-prop-1-enylcyclopropyl)bicyclo[4.2.0]octa-2,4-diene.

Molecular Properties

• Compound Name: 7-methyl-4-(2-methylidenecyclopropyl)-2-[3-methyl-5-(2-methylcyclobutyl)-4-[2-methyl-3-methylidene-2-[3-(2-methylidenecyclopropyl)prop-1-enyl]cyclopropyl]penta-2,4-dien-2-yl]-3-(1-methyl-2-methylidene-3-prop-1-enylcyclopropyl)bicyclo[4.2.0]octa-2,4-diene
• PubChem CID: 123987111
• Molecular Formula: C44H56
• Molecular Weight: 584.93 g/mol
• Exact Mass: 584.44
• IUPAC Name: 7-methyl-4-(2-methylidenecyclopropyl)-2-[3-methyl-5-(2-methylcyclobutyl)-4-[2-methyl-3-methylidene-2-[3-(2-methylidenecyclopropyl)prop-1-enyl]cyclopropyl]penta-2,4-dien-2-yl]-3-(1-methyl-2-methylidene-3-prop-1-enylcyclopropyl)bicyclo[4.2.0]octa-2,4-diene
• SMILES: C=C1CC1CC=CC1(C)C(=C)C1C(=CC1CCC1C)C(C)=C(C)C1=C(C2(C)C(=C)C2C=CC)C(C2CC2=C)=CC2C(C)CC12
• InChI: InChI=1S/C44H56/c1-12-14-39-30(8)44(39,11)42-38(34-20-26(34)4)23-35-27(5)21-37(35)40(42)29(7)28(6)36(22-33-17-16-24(33)2)41-31(9)43(41,10)18-13-15-32-19-25(32)3/h12-14,18,22-24,27,32-35,37,39,41H,3-4,8-9,15-17,19-21H2,1-2,5-7,10-11H3
• InChIKey: OMVJOHQOYCCGLG-UHFFFAOYSA-N
• XLogP: 11.86
• TPSA: 0.00 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.93
LogP ≤ 5	11.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(2-methylidenecyclopropyl)-2-[3-methyl-5-(2-methylcyclobutyl)-4-[2-methyl-3-methylidene-2-[3-(2-methylidenecyclopropyl)prop-1-enyl]cyclopropyl]penta-2,4-dien-2-yl]-3-(1-methyl-2-methylidene-3-prop-1-enylcyclopropyl)bicyclo[4.2.0]octa-2,4-diene?

The IUPAC name of 7-methyl-4-(2-methylidenecyclopropyl)-2-[3-methyl-5-(2-methylcyclobutyl)-4-[2-methyl-3-methylidene-2-[3-(2-methylidenecyclopropyl)prop-1-enyl]cyclopropyl]penta-2,4-dien-2-yl]-3-(1-methyl-2-methylidene-3-prop-1-enylcyclopropyl)bicyclo[4.2.0]octa-2,4-diene (CID 123987111) is 7-methyl-4-(2-methylidenecyclopropyl)-2-[3-methyl-5-(2-methylcyclobutyl)-4-[2-methyl-3-methylidene-2-[3-(2-methylidenecyclopropyl)prop-1-enyl]cyclopropyl]penta-2,4-dien-2-yl]-3-(1-methyl-2-methylidene-3-prop-1-enylcyclopropyl)bicyclo[4.2.0]octa-2,4-diene.

What is the SMILES notation for 7-methyl-4-(2-methylidenecyclopropyl)-2-[3-methyl-5-(2-methylcyclobutyl)-4-[2-methyl-3-methylidene-2-[3-(2-methylidenecyclopropyl)prop-1-enyl]cyclopropyl]penta-2,4-dien-2-yl]-3-(1-methyl-2-methylidene-3-prop-1-enylcyclopropyl)bicyclo[4.2.0]octa-2,4-diene?

The canonical SMILES for 7-methyl-4-(2-methylidenecyclopropyl)-2-[3-methyl-5-(2-methylcyclobutyl)-4-[2-methyl-3-methylidene-2-[3-(2-methylidenecyclopropyl)prop-1-enyl]cyclopropyl]penta-2,4-dien-2-yl]-3-(1-methyl-2-methylidene-3-prop-1-enylcyclopropyl)bicyclo[4.2.0]octa-2,4-diene is C=C1CC1CC=CC1(C)C(=C)C1C(=CC1CCC1C)C(C)=C(C)C1=C(C2(C)C(=C)C2C=CC)C(C2CC2=C)=CC2C(C)CC12.

What is the InChIKey of 7-methyl-4-(2-methylidenecyclopropyl)-2-[3-methyl-5-(2-methylcyclobutyl)-4-[2-methyl-3-methylidene-2-[3-(2-methylidenecyclopropyl)prop-1-enyl]cyclopropyl]penta-2,4-dien-2-yl]-3-(1-methyl-2-methylidene-3-prop-1-enylcyclopropyl)bicyclo[4.2.0]octa-2,4-diene?

The InChIKey is OMVJOHQOYCCGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H56/c1-12-14-39-30(8)44(39,11)42-38(34-20-26(34)4)23-35-27(5)21-37(35)40(42)29(7)28(6)36(22-33-17-16-24(33)2)41-31(9)43(41,10)18-13-15-32-19-25(32)3/h12-14,18,22-24,27,32-35,37,39,41H,3-4,8-9,15-17,19-21H2,1-2,5-7,10-11H3.

What are the key properties of 7-methyl-4-(2-methylidenecyclopropyl)-2-[3-methyl-5-(2-methylcyclobutyl)-4-[2-methyl-3-methylidene-2-[3-(2-methylidenecyclopropyl)prop-1-enyl]cyclopropyl]penta-2,4-dien-2-yl]-3-(1-methyl-2-methylidene-3-prop-1-enylcyclopropyl)bicyclo[4.2.0]octa-2,4-diene?

7-methyl-4-(2-methylidenecyclopropyl)-2-[3-methyl-5-(2-methylcyclobutyl)-4-[2-methyl-3-methylidene-2-[3-(2-methylidenecyclopropyl)prop-1-enyl]cyclopropyl]penta-2,4-dien-2-yl]-3-(1-methyl-2-methylidene-3-prop-1-enylcyclopropyl)bicyclo[4.2.0]octa-2,4-diene has a molecular weight of 584.93 g/mol, XLogP of 11.86, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-4-(2-methylidenecyclopropyl)-2-[3-methyl-5-(2-methylcyclobutyl)-4-[2-methyl-3-methylidene-2-[3-(2-methylidenecyclopropyl)prop-1-enyl]cyclopropyl]penta-2,4-dien-2-yl]-3-(1-methyl-2-methylidene-3-prop-1-enylcyclopropyl)bicyclo[4.2.0]octa-2,4-diene is sourced from PubChem (CID 123987111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).