cyclohexyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(triethylsilylmethyl)silane

C26H35F7OSi2 — CID 141045137

IUPACcyclohexyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(triethylsilylmethyl)silane
SMILESCC[Si](CC)(CC)C[Si](Oc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F)(C(C)C)C1CCCCC1
InChIInChI=1S/C26H35F7OSi2/c1-6-35(7-2,8-3)14-36(15(4)5,16-12-10-9-11-13-16)34-26-22(30)18-17(21(29)25(26)33)19(27)23(31)24(32)20(18)28/h15-16H,6-14H2,1-5H3
InChIKeyNOUVTQYAZMCQFA-UHFFFAOYSA-N
MW552.72 g/mol
LogP9.93
Rot. Bonds9

About cyclohexyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(triethylsilylmethyl)silane

cyclohexyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(triethylsilylmethyl)silane (PubChem CID 141045137) has the molecular formula C26H35F7OSi2 and a molecular weight of 552.72 g/mol. Its IUPAC name is cyclohexyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(triethylsilylmethyl)silane.

Molecular Properties

Compound Namecyclohexyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(triethylsilylmethyl)silane
PubChem CID141045137
Molecular FormulaC26H35F7OSi2
Molecular Weight552.72 g/mol
Exact Mass552.21
IUPAC Namecyclohexyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(triethylsilylmethyl)silane
SMILESCC[Si](CC)(CC)C[Si](Oc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F)(C(C)C)C1CCCCC1
InChIInChI=1S/C26H35F7OSi2/c1-6-35(7-2,8-3)14-36(15(4)5,16-12-10-9-11-13-16)34-26-22(30)18-17(21(29)25(26)33)19(27)23(31)24(32)20(18)28/h15-16H,6-14H2,1-5H3
InChIKeyNOUVTQYAZMCQFA-UHFFFAOYSA-N
XLogP9.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.72
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(triethylsilylmethyl)silane?
The IUPAC name of cyclohexyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(triethylsilylmethyl)silane (CID 141045137) is cyclohexyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(triethylsilylmethyl)silane.
What is the SMILES notation for cyclohexyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(triethylsilylmethyl)silane?
The canonical SMILES for cyclohexyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(triethylsilylmethyl)silane is CC[Si](CC)(CC)C[Si](Oc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F)(C(C)C)C1CCCCC1.
What is the InChIKey of cyclohexyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(triethylsilylmethyl)silane?
The InChIKey is NOUVTQYAZMCQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35F7OSi2/c1-6-35(7-2,8-3)14-36(15(4)5,16-12-10-9-11-13-16)34-26-22(30)18-17(21(29)25(26)33)19(27)23(31)24(32)20(18)28/h15-16H,6-14H2,1-5H3.
What are the key properties of cyclohexyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(triethylsilylmethyl)silane?
cyclohexyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(triethylsilylmethyl)silane has a molecular weight of 552.72 g/mol, XLogP of 9.93, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(triethylsilylmethyl)silane is sourced from PubChem (CID 141045137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).