triethyl-[3-[(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-di(propan-2-yl)silyl]propyl]silane

C25H35F7OSi2 — CID 141045215

IUPACtriethyl-[3-[(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-di(propan-2-yl)silyl]propyl]silane
SMILESCC[Si](CC)(CC)CCC[Si](Oc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F)(C(C)C)C(C)C
InChIInChI=1S/C25H35F7OSi2/c1-8-34(9-2,10-3)12-11-13-35(14(4)5,15(6)7)33-25-21(29)17-16(20(28)24(25)32)18(26)22(30)23(31)19(17)27/h14-15H,8-13H2,1-7H3
InChIKeyBUWGYQLYWDAIPW-UHFFFAOYSA-N
MW540.71 g/mol
LogP9.86
Rot. Bonds11

About triethyl-[3-[(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-di(propan-2-yl)silyl]propyl]silane

triethyl-[3-[(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-di(propan-2-yl)silyl]propyl]silane (PubChem CID 141045215) has the molecular formula C25H35F7OSi2 and a molecular weight of 540.71 g/mol. Its IUPAC name is triethyl-[3-[(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-di(propan-2-yl)silyl]propyl]silane.

Molecular Properties

Compound Nametriethyl-[3-[(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-di(propan-2-yl)silyl]propyl]silane
PubChem CID141045215
Molecular FormulaC25H35F7OSi2
Molecular Weight540.71 g/mol
Exact Mass540.21
IUPAC Nametriethyl-[3-[(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-di(propan-2-yl)silyl]propyl]silane
SMILESCC[Si](CC)(CC)CCC[Si](Oc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F)(C(C)C)C(C)C
InChIInChI=1S/C25H35F7OSi2/c1-8-34(9-2,10-3)12-11-13-35(14(4)5,15(6)7)33-25-21(29)17-16(20(28)24(25)32)18(26)22(30)23(31)19(17)27/h14-15H,8-13H2,1-7H3
InChIKeyBUWGYQLYWDAIPW-UHFFFAOYSA-N
XLogP9.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.71
LogP ≤ 59.86
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 triethyl-[3-[(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-di(propan-2-yl)silyl]propyl]silane?
The IUPAC name of triethyl-[3-[(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-di(propan-2-yl)silyl]propyl]silane (CID 141045215) is triethyl-[3-[(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-di(propan-2-yl)silyl]propyl]silane.
What is the SMILES notation for triethyl-[3-[(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-di(propan-2-yl)silyl]propyl]silane?
The canonical SMILES for triethyl-[3-[(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-di(propan-2-yl)silyl]propyl]silane is CC[Si](CC)(CC)CCC[Si](Oc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F)(C(C)C)C(C)C.
What is the InChIKey of triethyl-[3-[(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-di(propan-2-yl)silyl]propyl]silane?
The InChIKey is BUWGYQLYWDAIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35F7OSi2/c1-8-34(9-2,10-3)12-11-13-35(14(4)5,15(6)7)33-25-21(29)17-16(20(28)24(25)32)18(26)22(30)23(31)19(17)27/h14-15H,8-13H2,1-7H3.
What are the key properties of triethyl-[3-[(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-di(propan-2-yl)silyl]propyl]silane?
triethyl-[3-[(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-di(propan-2-yl)silyl]propyl]silane has a molecular weight of 540.71 g/mol, XLogP of 9.86, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[3-[(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-di(propan-2-yl)silyl]propyl]silane is sourced from PubChem (CID 141045215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).