cyclohexyl-(3-ethylnonyl)-(1,3,4,5,6,7,9,10-octafluoroanthracen-2-yl)oxy-propan-2-ylsilane

C34H42F8OSi — CID 173235715

About cyclohexyl-(3-ethylnonyl)-(1,3,4,5,6,7,9,10-octafluoroanthracen-2-yl)oxy-propan-2-ylsilane

cyclohexyl-(3-ethylnonyl)-(1,3,4,5,6,7,9,10-octafluoroanthracen-2-yl)oxy-propan-2-ylsilane (PubChem CID 173235715) has the molecular formula C34H42F8OSi and a molecular weight of 646.78 g/mol. Its IUPAC name is cyclohexyl-(3-ethylnonyl)-(1,3,4,5,6,7,9,10-octafluoroanthracen-2-yl)oxy-propan-2-ylsilane.

Molecular Properties

• Compound Name: cyclohexyl-(3-ethylnonyl)-(1,3,4,5,6,7,9,10-octafluoroanthracen-2-yl)oxy-propan-2-ylsilane
• PubChem CID: 173235715
• Molecular Formula: C34H42F8OSi
• Molecular Weight: 646.78 g/mol
• Exact Mass: 646.29
• IUPAC Name: cyclohexyl-(3-ethylnonyl)-(1,3,4,5,6,7,9,10-octafluoroanthracen-2-yl)oxy-propan-2-ylsilane
• SMILES: CCCCCCC(CC)CC[Si](Oc1c(F)c(F)c2c(F)c3c(F)c(F)c(F)cc3c(F)c2c1F)(C(C)C)C1CCCCC1
• InChI: InChI=1S/C34H42F8OSi/c1-5-7-8-10-13-20(6-2)16-17-44(19(3)4,21-14-11-9-12-15-21)43-34-32(41)25-26(31(40)33(34)42)29(38)24-22(27(25)36)18-23(35)28(37)30(24)39/h18-21H,5-17H2,1-4H3
• InChIKey: OXYUAPFJLSFEOL-UHFFFAOYSA-N
• XLogP: 12.56
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 13
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	646.78
LogP ≤ 5	12.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3-ethylnonyl)-(1,3,4,5,6,7,9,10-octafluoroanthracen-2-yl)oxy-propan-2-ylsilane?

The IUPAC name of cyclohexyl-(3-ethylnonyl)-(1,3,4,5,6,7,9,10-octafluoroanthracen-2-yl)oxy-propan-2-ylsilane (CID 173235715) is cyclohexyl-(3-ethylnonyl)-(1,3,4,5,6,7,9,10-octafluoroanthracen-2-yl)oxy-propan-2-ylsilane.

What is the SMILES notation for cyclohexyl-(3-ethylnonyl)-(1,3,4,5,6,7,9,10-octafluoroanthracen-2-yl)oxy-propan-2-ylsilane?

The canonical SMILES for cyclohexyl-(3-ethylnonyl)-(1,3,4,5,6,7,9,10-octafluoroanthracen-2-yl)oxy-propan-2-ylsilane is CCCCCCC(CC)CC[Si](Oc1c(F)c(F)c2c(F)c3c(F)c(F)c(F)cc3c(F)c2c1F)(C(C)C)C1CCCCC1.

What is the InChIKey of cyclohexyl-(3-ethylnonyl)-(1,3,4,5,6,7,9,10-octafluoroanthracen-2-yl)oxy-propan-2-ylsilane?

The InChIKey is OXYUAPFJLSFEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42F8OSi/c1-5-7-8-10-13-20(6-2)16-17-44(19(3)4,21-14-11-9-12-15-21)43-34-32(41)25-26(31(40)33(34)42)29(38)24-22(27(25)36)18-23(35)28(37)30(24)39/h18-21H,5-17H2,1-4H3.

What are the key properties of cyclohexyl-(3-ethylnonyl)-(1,3,4,5,6,7,9,10-octafluoroanthracen-2-yl)oxy-propan-2-ylsilane?

cyclohexyl-(3-ethylnonyl)-(1,3,4,5,6,7,9,10-octafluoroanthracen-2-yl)oxy-propan-2-ylsilane has a molecular weight of 646.78 g/mol, XLogP of 12.56, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-(3-ethylnonyl)-(1,3,4,5,6,7,9,10-octafluoroanthracen-2-yl)oxy-propan-2-ylsilane is sourced from PubChem (CID 173235715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).