triethyl-[[(5-fluoronaphthalen-1-yl)oxy-propan-2-yl-(6-tripropylsilylhexyl)silyl]methyl]silane

C35H63FOSi3 — CID 173235344

IUPACtriethyl-[[(5-fluoronaphthalen-1-yl)oxy-propan-2-yl-(6-tripropylsilylhexyl)silyl]methyl]silane
SMILESCCC[Si](CCC)(CCC)CCCCCC[Si](C[Si](CC)(CC)CC)(Oc1cccc2c(F)cccc12)C(C)C
InChIInChI=1S/C35H63FOSi3/c1-9-25-39(26-10-2,27-11-3)28-17-15-16-18-29-40(31(7)8,30-38(12-4,13-5)14-6)37-35-24-20-21-32-33(35)22-19-23-34(32)36/h19-24,31H,9-18,25-30H2,1-8H3
InChIKeyUFMNHCFIBZYALX-UHFFFAOYSA-N
MW603.14 g/mol
LogP13.00
Rot. Bonds21

About triethyl-[[(5-fluoronaphthalen-1-yl)oxy-propan-2-yl-(6-tripropylsilylhexyl)silyl]methyl]silane

triethyl-[[(5-fluoronaphthalen-1-yl)oxy-propan-2-yl-(6-tripropylsilylhexyl)silyl]methyl]silane (PubChem CID 173235344) has the molecular formula C35H63FOSi3 and a molecular weight of 603.14 g/mol. Its IUPAC name is triethyl-[[(5-fluoronaphthalen-1-yl)oxy-propan-2-yl-(6-tripropylsilylhexyl)silyl]methyl]silane.

Molecular Properties

Compound Nametriethyl-[[(5-fluoronaphthalen-1-yl)oxy-propan-2-yl-(6-tripropylsilylhexyl)silyl]methyl]silane
PubChem CID173235344
Molecular FormulaC35H63FOSi3
Molecular Weight603.14 g/mol
Exact Mass602.42
IUPAC Nametriethyl-[[(5-fluoronaphthalen-1-yl)oxy-propan-2-yl-(6-tripropylsilylhexyl)silyl]methyl]silane
SMILESCCC[Si](CCC)(CCC)CCCCCC[Si](C[Si](CC)(CC)CC)(Oc1cccc2c(F)cccc12)C(C)C
InChIInChI=1S/C35H63FOSi3/c1-9-25-39(26-10-2,27-11-3)28-17-15-16-18-29-40(31(7)8,30-38(12-4,13-5)14-6)37-35-24-20-21-32-33(35)22-19-23-34(32)36/h19-24,31H,9-18,25-30H2,1-8H3
InChIKeyUFMNHCFIBZYALX-UHFFFAOYSA-N
XLogP13.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.14
LogP ≤ 513.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triethyl-[3-[hexyl-propan-2-yl-(2,3,5,6-tetrafluorophenoxy)silyl]propyl]silane
CID 173235628
triethyl-[2-[nonyl-propan-2-yl-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silyl]ethyl]silane
CID 141045117
decyl-dinaphthalen-1-yl-naphthalen-1-yloxysilane
CID 67918885
1-(2-fluoro-6-naphthalen-1-yloxyphenyl)ethanol
CID 43506509
(5-fluoronaphthalen-2-yl)oxy-propan-2-yl-bis(2-trimethylsilylethyl)silane
CID 173235779
1-fluoro-5-propylnaphthalene
CID 143275008
diethyl-(4-methylpentoxy)-naphthalen-1-yloxysilane
CID 91742929
1-dodecoxy-2,3-difluorobenzene
CID 15854521
(5-fluoronaphthalen-1-yl) formate
CID 57195526
(1S)-1-(2-fluoro-6-quinazolin-4-ylsulfanylphenyl)ethanol
CID 78951779
(3-fluoro-2-heptoxyphenyl)methanol
CID 112612964
trihexyl-(2-propan-2-yloxyphenoxy)silane
CID 530902

Frequently Asked Questions

What is the IUPAC name of triethyl-[[(5-fluoronaphthalen-1-yl)oxy-propan-2-yl-(6-tripropylsilylhexyl)silyl]methyl]silane?
The IUPAC name of triethyl-[[(5-fluoronaphthalen-1-yl)oxy-propan-2-yl-(6-tripropylsilylhexyl)silyl]methyl]silane (CID 173235344) is triethyl-[[(5-fluoronaphthalen-1-yl)oxy-propan-2-yl-(6-tripropylsilylhexyl)silyl]methyl]silane.
What is the SMILES notation for triethyl-[[(5-fluoronaphthalen-1-yl)oxy-propan-2-yl-(6-tripropylsilylhexyl)silyl]methyl]silane?
The canonical SMILES for triethyl-[[(5-fluoronaphthalen-1-yl)oxy-propan-2-yl-(6-tripropylsilylhexyl)silyl]methyl]silane is CCC[Si](CCC)(CCC)CCCCCC[Si](C[Si](CC)(CC)CC)(Oc1cccc2c(F)cccc12)C(C)C.
What is the InChIKey of triethyl-[[(5-fluoronaphthalen-1-yl)oxy-propan-2-yl-(6-tripropylsilylhexyl)silyl]methyl]silane?
The InChIKey is UFMNHCFIBZYALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H63FOSi3/c1-9-25-39(26-10-2,27-11-3)28-17-15-16-18-29-40(31(7)8,30-38(12-4,13-5)14-6)37-35-24-20-21-32-33(35)22-19-23-34(32)36/h19-24,31H,9-18,25-30H2,1-8H3.
What are the key properties of triethyl-[[(5-fluoronaphthalen-1-yl)oxy-propan-2-yl-(6-tripropylsilylhexyl)silyl]methyl]silane?
triethyl-[[(5-fluoronaphthalen-1-yl)oxy-propan-2-yl-(6-tripropylsilylhexyl)silyl]methyl]silane has a molecular weight of 603.14 g/mol, XLogP of 13.00, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[[(5-fluoronaphthalen-1-yl)oxy-propan-2-yl-(6-tripropylsilylhexyl)silyl]methyl]silane is sourced from PubChem (CID 173235344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).