cyclohexyl-[8-[diethyl(methyl)silyl]octyl]-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)oxy-propan-2-ylsilane

C32H48F6OSi2 — CID 173235717

About cyclohexyl-[8-[diethyl(methyl)silyl]octyl]-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)oxy-propan-2-ylsilane

cyclohexyl-[8-[diethyl(methyl)silyl]octyl]-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)oxy-propan-2-ylsilane (PubChem CID 173235717) has the molecular formula C32H48F6OSi2 and a molecular weight of 618.90 g/mol. Its IUPAC name is cyclohexyl-[8-[diethyl(methyl)silyl]octyl]-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)oxy-propan-2-ylsilane.

Molecular Properties

• Compound Name: cyclohexyl-[8-[diethyl(methyl)silyl]octyl]-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)oxy-propan-2-ylsilane
• PubChem CID: 173235717
• Molecular Formula: C32H48F6OSi2
• Molecular Weight: 618.90 g/mol
• Exact Mass: 618.31
• IUPAC Name: cyclohexyl-[8-[diethyl(methyl)silyl]octyl]-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)oxy-propan-2-ylsilane
• SMILES: CC[Si](C)(CC)CCCCCCCC[Si](Oc1c(F)c(F)c(F)c2c(F)cc(F)c(F)c12)(C(C)C)C1CCCCC1
• InChI: InChI=1S/C32H48F6OSi2/c1-6-40(5,7-2)19-15-10-8-9-11-16-20-41(22(3)4,23-17-13-12-14-18-23)39-32-27-26(29(36)30(37)31(32)38)24(33)21-25(34)28(27)35/h21-23H,6-20H2,1-5H3
• InChIKey: SRVORUYNQHBRQH-UHFFFAOYSA-N
• XLogP: 12.20
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 15
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.90
LogP ≤ 5	12.20
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'}

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[8-[diethyl(methyl)silyl]octyl]-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)oxy-propan-2-ylsilane?

The IUPAC name of cyclohexyl-[8-[diethyl(methyl)silyl]octyl]-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)oxy-propan-2-ylsilane (CID 173235717) is cyclohexyl-[8-[diethyl(methyl)silyl]octyl]-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)oxy-propan-2-ylsilane.

What is the SMILES notation for cyclohexyl-[8-[diethyl(methyl)silyl]octyl]-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)oxy-propan-2-ylsilane?

The canonical SMILES for cyclohexyl-[8-[diethyl(methyl)silyl]octyl]-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)oxy-propan-2-ylsilane is CC[Si](C)(CC)CCCCCCCC[Si](Oc1c(F)c(F)c(F)c2c(F)cc(F)c(F)c12)(C(C)C)C1CCCCC1.

What is the InChIKey of cyclohexyl-[8-[diethyl(methyl)silyl]octyl]-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)oxy-propan-2-ylsilane?

The InChIKey is SRVORUYNQHBRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48F6OSi2/c1-6-40(5,7-2)19-15-10-8-9-11-16-20-41(22(3)4,23-17-13-12-14-18-23)39-32-27-26(29(36)30(37)31(32)38)24(33)21-25(34)28(27)35/h21-23H,6-20H2,1-5H3.

What are the key properties of cyclohexyl-[8-[diethyl(methyl)silyl]octyl]-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)oxy-propan-2-ylsilane?

cyclohexyl-[8-[diethyl(methyl)silyl]octyl]-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)oxy-propan-2-ylsilane has a molecular weight of 618.90 g/mol, XLogP of 12.20, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-[8-[diethyl(methyl)silyl]octyl]-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)oxy-propan-2-ylsilane is sourced from PubChem (CID 173235717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).