triethyl-[2-[octyl-(2,3,4,5,6-pentafluorophenoxy)-propan-2-ylsilyl]ethyl]silane

C25H43F5OSi2 — CID 141045221

IUPACtriethyl-[2-[octyl-(2,3,4,5,6-pentafluorophenoxy)-propan-2-ylsilyl]ethyl]silane
SMILESCCCCCCCC[Si](CC[Si](CC)(CC)CC)(Oc1c(F)c(F)c(F)c(F)c1F)C(C)C
InChIInChI=1S/C25H43F5OSi2/c1-7-11-12-13-14-15-16-33(19(5)6,18-17-32(8-2,9-3)10-4)31-25-23(29)21(27)20(26)22(28)24(25)30/h19H,7-18H2,1-6H3
InChIKeyKTYYQQKXCBPBDY-UHFFFAOYSA-N
MW510.78 g/mol
LogP9.99
Rot. Bonds16

About triethyl-[2-[octyl-(2,3,4,5,6-pentafluorophenoxy)-propan-2-ylsilyl]ethyl]silane

triethyl-[2-[octyl-(2,3,4,5,6-pentafluorophenoxy)-propan-2-ylsilyl]ethyl]silane (PubChem CID 141045221) has the molecular formula C25H43F5OSi2 and a molecular weight of 510.78 g/mol. Its IUPAC name is triethyl-[2-[octyl-(2,3,4,5,6-pentafluorophenoxy)-propan-2-ylsilyl]ethyl]silane.

Molecular Properties

Compound Nametriethyl-[2-[octyl-(2,3,4,5,6-pentafluorophenoxy)-propan-2-ylsilyl]ethyl]silane
PubChem CID141045221
Molecular FormulaC25H43F5OSi2
Molecular Weight510.78 g/mol
Exact Mass510.28
IUPAC Nametriethyl-[2-[octyl-(2,3,4,5,6-pentafluorophenoxy)-propan-2-ylsilyl]ethyl]silane
SMILESCCCCCCCC[Si](CC[Si](CC)(CC)CC)(Oc1c(F)c(F)c(F)c(F)c1F)C(C)C
InChIInChI=1S/C25H43F5OSi2/c1-7-11-12-13-14-15-16-33(19(5)6,18-17-32(8-2,9-3)10-4)31-25-23(29)21(27)20(26)22(28)24(25)30/h19H,7-18H2,1-6H3
InChIKeyKTYYQQKXCBPBDY-UHFFFAOYSA-N
XLogP9.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.78
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

triethyl-[2-[nonyl-propan-2-yl-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silyl]ethyl]silane
CID 141045117
triethyl-[3-[hexyl-propan-2-yl-(2,3,5,6-tetrafluorophenoxy)silyl]propyl]silane
CID 173235628
triethyl(octacosyl)silane
CID 173084780
triethyl-[[(5-fluoronaphthalen-1-yl)oxy-propan-2-yl-(6-tripropylsilylhexyl)silyl]methyl]silane
CID 173235344
decyl-ethyl-di(propan-2-yloxy)silane
CID 158736144
triethyl(7-triethylsilylheptyl)silane
CID 174191086
diethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]-undecoxysilane
CID 91745150
diethyl-nonoxy-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane
CID 91744672
octadecoxy-(2,3,4,5,6-pentafluorophenoxy)methanethione
CID 15717577
decyl-tri(propan-2-yl)silane;hydrofluoride
CID 174965552
dioctyl-(2,3,4,5,6-pentafluorophenoxy)alumane
CID 87560332
ethyl-hexadecyl-dipropoxysilane
CID 22228686

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-[octyl-(2,3,4,5,6-pentafluorophenoxy)-propan-2-ylsilyl]ethyl]silane?
The IUPAC name of triethyl-[2-[octyl-(2,3,4,5,6-pentafluorophenoxy)-propan-2-ylsilyl]ethyl]silane (CID 141045221) is triethyl-[2-[octyl-(2,3,4,5,6-pentafluorophenoxy)-propan-2-ylsilyl]ethyl]silane.
What is the SMILES notation for triethyl-[2-[octyl-(2,3,4,5,6-pentafluorophenoxy)-propan-2-ylsilyl]ethyl]silane?
The canonical SMILES for triethyl-[2-[octyl-(2,3,4,5,6-pentafluorophenoxy)-propan-2-ylsilyl]ethyl]silane is CCCCCCCC[Si](CC[Si](CC)(CC)CC)(Oc1c(F)c(F)c(F)c(F)c1F)C(C)C.
What is the InChIKey of triethyl-[2-[octyl-(2,3,4,5,6-pentafluorophenoxy)-propan-2-ylsilyl]ethyl]silane?
The InChIKey is KTYYQQKXCBPBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43F5OSi2/c1-7-11-12-13-14-15-16-33(19(5)6,18-17-32(8-2,9-3)10-4)31-25-23(29)21(27)20(26)22(28)24(25)30/h19H,7-18H2,1-6H3.
What are the key properties of triethyl-[2-[octyl-(2,3,4,5,6-pentafluorophenoxy)-propan-2-ylsilyl]ethyl]silane?
triethyl-[2-[octyl-(2,3,4,5,6-pentafluorophenoxy)-propan-2-ylsilyl]ethyl]silane has a molecular weight of 510.78 g/mol, XLogP of 9.99, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-[octyl-(2,3,4,5,6-pentafluorophenoxy)-propan-2-ylsilyl]ethyl]silane is sourced from PubChem (CID 141045221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).