4-[3,4-dimethyl-3-(1-methylcyclopropyl)pentyl]-8-[[2-ethyl-1-(6-methyloct-7-en-2-yl)cyclobutyl]methyl]-1,3,9-trimethyltricyclo[7.1.0.02,4]decane

C40H70 — CID 90758965

About 4-[3,4-dimethyl-3-(1-methylcyclopropyl)pentyl]-8-[[2-ethyl-1-(6-methyloct-7-en-2-yl)cyclobutyl]methyl]-1,3,9-trimethyltricyclo[7.1.0.02,4]decane

4-[3,4-dimethyl-3-(1-methylcyclopropyl)pentyl]-8-[[2-ethyl-1-(6-methyloct-7-en-2-yl)cyclobutyl]methyl]-1,3,9-trimethyltricyclo[7.1.0.02,4]decane (PubChem CID 90758965) has the molecular formula C40H70 and a molecular weight of 551.00 g/mol. Its IUPAC name is 4-[3,4-dimethyl-3-(1-methylcyclopropyl)pentyl]-8-[[2-ethyl-1-(6-methyloct-7-en-2-yl)cyclobutyl]methyl]-1,3,9-trimethyltricyclo[7.1.0.02,4]decane.

Molecular Properties

• Compound Name: 4-[3,4-dimethyl-3-(1-methylcyclopropyl)pentyl]-8-[[2-ethyl-1-(6-methyloct-7-en-2-yl)cyclobutyl]methyl]-1,3,9-trimethyltricyclo[7.1.0.02,4]decane
• PubChem CID: 90758965
• Molecular Formula: C40H70
• Molecular Weight: 551.00 g/mol
• Exact Mass: 550.55
• IUPAC Name: 4-[3,4-dimethyl-3-(1-methylcyclopropyl)pentyl]-8-[[2-ethyl-1-(6-methyloct-7-en-2-yl)cyclobutyl]methyl]-1,3,9-trimethyltricyclo[7.1.0.02,4]decane
• SMILES: C=CC(C)CCCC(C)C1(CC2CCCC3(CCC(C)(C(C)C)C4(C)CC4)C(C)C3C3(C)CC23C)CCC1CC
• InChI: InChI=1S/C40H70/c1-12-29(5)16-14-17-30(6)40(21-19-32(40)13-2)26-33-18-15-20-39(31(7)34(39)38(11)27-37(33,38)10)25-24-36(9,28(3)4)35(8)22-23-35/h12,28-34H,1,13-27H2,2-11H3
• InChIKey: FTTTWZCCBYTWSF-UHFFFAOYSA-N
• XLogP: 12.52
• TPSA: 0.00 Ų
• Rotatable Bonds: 14
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.00
LogP ≤ 5	12.52
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 4-[3,4-dimethyl-3-(1-methylcyclopropyl)pentyl]-8-[[2-ethyl-1-(6-methyloct-7-en-2-yl)cyclobutyl]methyl]-1,3,9-trimethyltricyclo[7.1.0.02,4]decane?

The IUPAC name of 4-[3,4-dimethyl-3-(1-methylcyclopropyl)pentyl]-8-[[2-ethyl-1-(6-methyloct-7-en-2-yl)cyclobutyl]methyl]-1,3,9-trimethyltricyclo[7.1.0.02,4]decane (CID 90758965) is 4-[3,4-dimethyl-3-(1-methylcyclopropyl)pentyl]-8-[[2-ethyl-1-(6-methyloct-7-en-2-yl)cyclobutyl]methyl]-1,3,9-trimethyltricyclo[7.1.0.02,4]decane.

What is the SMILES notation for 4-[3,4-dimethyl-3-(1-methylcyclopropyl)pentyl]-8-[[2-ethyl-1-(6-methyloct-7-en-2-yl)cyclobutyl]methyl]-1,3,9-trimethyltricyclo[7.1.0.02,4]decane?

The canonical SMILES for 4-[3,4-dimethyl-3-(1-methylcyclopropyl)pentyl]-8-[[2-ethyl-1-(6-methyloct-7-en-2-yl)cyclobutyl]methyl]-1,3,9-trimethyltricyclo[7.1.0.02,4]decane is C=CC(C)CCCC(C)C1(CC2CCCC3(CCC(C)(C(C)C)C4(C)CC4)C(C)C3C3(C)CC23C)CCC1CC.

What is the InChIKey of 4-[3,4-dimethyl-3-(1-methylcyclopropyl)pentyl]-8-[[2-ethyl-1-(6-methyloct-7-en-2-yl)cyclobutyl]methyl]-1,3,9-trimethyltricyclo[7.1.0.02,4]decane?

The InChIKey is FTTTWZCCBYTWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H70/c1-12-29(5)16-14-17-30(6)40(21-19-32(40)13-2)26-33-18-15-20-39(31(7)34(39)38(11)27-37(33,38)10)25-24-36(9,28(3)4)35(8)22-23-35/h12,28-34H,1,13-27H2,2-11H3.

What are the key properties of 4-[3,4-dimethyl-3-(1-methylcyclopropyl)pentyl]-8-[[2-ethyl-1-(6-methyloct-7-en-2-yl)cyclobutyl]methyl]-1,3,9-trimethyltricyclo[7.1.0.02,4]decane?

4-[3,4-dimethyl-3-(1-methylcyclopropyl)pentyl]-8-[[2-ethyl-1-(6-methyloct-7-en-2-yl)cyclobutyl]methyl]-1,3,9-trimethyltricyclo[7.1.0.02,4]decane has a molecular weight of 551.00 g/mol, XLogP of 12.52, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3,4-dimethyl-3-(1-methylcyclopropyl)pentyl]-8-[[2-ethyl-1-(6-methyloct-7-en-2-yl)cyclobutyl]methyl]-1,3,9-trimethyltricyclo[7.1.0.02,4]decane is sourced from PubChem (CID 90758965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).