tert-butyl-[6-[(3,4-dimethoxyphenyl)methoxy]-4-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]methoxy]-5,7-dimethylundec-8-enoxy]-dimethylsilane

C46H61F17O6Si — CID 173049506

IUPACtert-butyl-[6-[(3,4-dimethoxyphenyl)methoxy]-4-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]methoxy]-5,7-dimethylundec-8-enoxy]-dimethylsilane
SMILESCCC=CC(C)C(OCc1ccc(OC)c(OC)c1)C(C)C(CCCO[Si](C)(C)C(C)(C)C)OCc1ccc(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C46H61F17O6Si/c1-11-12-15-29(2)37(68-28-32-19-22-35(64-7)36(26-32)65-8)30(3)34(16-13-25-69-70(9,10)38(4,5)6)67-27-31-17-20-33(21-18-31)66-24-14-23-39(47,48)40(49,50)41(51,52)42(53,54)43(55,56)44(57,58)45(59,60)46(61,62)63/h12,15,17-22,26,29-30,34,37H,11,13-14,16,23-25,27-28H2,1-10H3
InChIKeyUMPWOWLEROWUFJ-UHFFFAOYSA-N
MW1061.04 g/mol
LogP15.38
Rot. Bonds29

About tert-butyl-[6-[(3,4-dimethoxyphenyl)methoxy]-4-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]methoxy]-5,7-dimethylundec-8-enoxy]-dimethylsilane

tert-butyl-[6-[(3,4-dimethoxyphenyl)methoxy]-4-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]methoxy]-5,7-dimethylundec-8-enoxy]-dimethylsilane (PubChem CID 173049506) has the molecular formula C46H61F17O6Si and a molecular weight of 1061.04 g/mol. Its IUPAC name is tert-butyl-[6-[(3,4-dimethoxyphenyl)methoxy]-4-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]methoxy]-5,7-dimethylundec-8-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[6-[(3,4-dimethoxyphenyl)methoxy]-4-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]methoxy]-5,7-dimethylundec-8-enoxy]-dimethylsilane
PubChem CID173049506
Molecular FormulaC46H61F17O6Si
Molecular Weight1061.04 g/mol
Exact Mass1060.40
IUPAC Nametert-butyl-[6-[(3,4-dimethoxyphenyl)methoxy]-4-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]methoxy]-5,7-dimethylundec-8-enoxy]-dimethylsilane
SMILESCCC=CC(C)C(OCc1ccc(OC)c(OC)c1)C(C)C(CCCO[Si](C)(C)C(C)(C)C)OCc1ccc(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C46H61F17O6Si/c1-11-12-15-29(2)37(68-28-32-19-22-35(64-7)36(26-32)65-8)30(3)34(16-13-25-69-70(9,10)38(4,5)6)67-27-31-17-20-33(21-18-31)66-24-14-23-39(47,48)40(49,50)41(51,52)42(53,54)43(55,56)44(57,58)45(59,60)46(61,62)63/h12,15,17-22,26,29-30,34,37H,11,13-14,16,23-25,27-28H2,1-10H3
InChIKeyUMPWOWLEROWUFJ-UHFFFAOYSA-N
XLogP15.38
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds29
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.04
LogP ≤ 515.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl-[6-[(3,4-dimethoxyphenyl)methoxy]-4-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]methoxy]-5,7-dimethylundec-8-enoxy]-dimethylsilane with MolForge

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Related Compounds

tert-butyl-[(4R,5S,6S,7S)-6-[(3,4-dimethoxyphenyl)methoxy]-4-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluorotridecoxy)phenyl]methoxy]-9-iodo-5,7-dimethylnon-8-enoxy]-dimethylsilane
CID 91208318
[(4Z,6S,7S,8S,9Z,13R,14S,15S,16S)-15-carbamoyloxy-7-[(3,4-dimethoxyphenyl)methoxy]-6,8,14,16-tetramethyl-13-[[4-(4,4,5,5,6,6,7,7,7-nonafluoroheptoxy)phenyl]methoxy]octadeca-4,9,17-trienyl] 2,2-dimethylpropanoate
CID 101189443
tert-butyl-[(2S,4E,6S,8E,10R,11R)-11-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]methoxy]-2,6,10-trimethyldodeca-4,8-dienoxy]-dimethylsilane
CID 11564219
tert-butyl-dimethyl-[(2S,4E,6R,8E,10S,11S)-2,6,10-trimethyl-11-[[4-(4,4,5,5,6,6,7,7,7-nonafluoroheptoxy)phenyl]methoxy]dodeca-4,8-dienoxy]silane
CID 11714650
1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecoxy)-4-[[(2R,3S,4E,7S,8E,11S)-3,7,11-trimethyltrideca-4,8,12-trien-2-yl]oxymethyl]benzene
CID 11629163
(E,2R,6R,7S)-2,6-dimethyl-7-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecoxy)phenyl]methoxy]oct-4-enal
CID 11563817
(2R,4E,6S,8E,10R,11R)-11-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]methoxy]-2,6,10-trimethyldodeca-4,8-dien-1-ol
CID 11564079
methyl (E,4S,5R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-5-[(3,4-dimethoxyphenyl)methoxy]-4,6-dimethylhept-2-enoate
CID 102507183
[(E,8R,9R)-9-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]methoxy]-8-(methoxymethoxy)henicos-4-enyl] acetate
CID 11240116
tert-butyl-[(2R,3S,4S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylheptan-3-yl]oxy-dimethylsilane
CID 16754070
tert-butyl-[(3R,4R,5R,6R)-6-[(3,4-dimethoxyphenyl)methoxy]-3,5-dimethylhept-1-en-4-yl]oxy-dimethylsilane
CID 11811908
[(3R,4S,7R,8R,9S)-12-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]-3,7,9-trimethyldodec-1-en-4-yl] benzoate
CID 10746096

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[6-[(3,4-dimethoxyphenyl)methoxy]-4-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]methoxy]-5,7-dimethylundec-8-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[6-[(3,4-dimethoxyphenyl)methoxy]-4-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]methoxy]-5,7-dimethylundec-8-enoxy]-dimethylsilane (CID 173049506) is tert-butyl-[6-[(3,4-dimethoxyphenyl)methoxy]-4-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]methoxy]-5,7-dimethylundec-8-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[6-[(3,4-dimethoxyphenyl)methoxy]-4-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]methoxy]-5,7-dimethylundec-8-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[6-[(3,4-dimethoxyphenyl)methoxy]-4-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]methoxy]-5,7-dimethylundec-8-enoxy]-dimethylsilane is CCC=CC(C)C(OCc1ccc(OC)c(OC)c1)C(C)C(CCCO[Si](C)(C)C(C)(C)C)OCc1ccc(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of tert-butyl-[6-[(3,4-dimethoxyphenyl)methoxy]-4-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]methoxy]-5,7-dimethylundec-8-enoxy]-dimethylsilane?
The InChIKey is UMPWOWLEROWUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H61F17O6Si/c1-11-12-15-29(2)37(68-28-32-19-22-35(64-7)36(26-32)65-8)30(3)34(16-13-25-69-70(9,10)38(4,5)6)67-27-31-17-20-33(21-18-31)66-24-14-23-39(47,48)40(49,50)41(51,52)42(53,54)43(55,56)44(57,58)45(59,60)46(61,62)63/h12,15,17-22,26,29-30,34,37H,11,13-14,16,23-25,27-28H2,1-10H3.
What are the key properties of tert-butyl-[6-[(3,4-dimethoxyphenyl)methoxy]-4-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]methoxy]-5,7-dimethylundec-8-enoxy]-dimethylsilane?
tert-butyl-[6-[(3,4-dimethoxyphenyl)methoxy]-4-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]methoxy]-5,7-dimethylundec-8-enoxy]-dimethylsilane has a molecular weight of 1061.04 g/mol, XLogP of 15.38, 29 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[6-[(3,4-dimethoxyphenyl)methoxy]-4-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]methoxy]-5,7-dimethylundec-8-enoxy]-dimethylsilane is sourced from PubChem (CID 173049506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).