7-(6-triethoxysilylhexoxy)-3-[2-(trifluoromethoxy)phenyl]chromen-2-one

C28H35F3O7Si — CID 153305937

IUPAC7-(6-triethoxysilylhexoxy)-3-[2-(trifluoromethoxy)phenyl]chromen-2-one
SMILESCCO[Si](CCCCCCOc1ccc2cc(-c3ccccc3OC(F)(F)F)c(=O)oc2c1)(OCC)OCC
InChIInChI=1S/C28H35F3O7Si/c1-4-34-39(35-5-2,36-6-3)18-12-8-7-11-17-33-22-16-15-21-19-24(27(32)37-26(21)20-22)23-13-9-10-14-25(23)38-28(29,30)31/h9-10,13-16,19-20H,4-8,11-12,17-18H2,1-3H3
InChIKeyNECDDSXQYMCWAZ-UHFFFAOYSA-N
MW568.66 g/mol
LogP7.35
Rot. Bonds16

About 7-(6-triethoxysilylhexoxy)-3-[2-(trifluoromethoxy)phenyl]chromen-2-one

7-(6-triethoxysilylhexoxy)-3-[2-(trifluoromethoxy)phenyl]chromen-2-one (PubChem CID 153305937) has the molecular formula C28H35F3O7Si and a molecular weight of 568.66 g/mol. Its IUPAC name is 7-(6-triethoxysilylhexoxy)-3-[2-(trifluoromethoxy)phenyl]chromen-2-one.

Molecular Properties

Compound Name7-(6-triethoxysilylhexoxy)-3-[2-(trifluoromethoxy)phenyl]chromen-2-one
PubChem CID153305937
Molecular FormulaC28H35F3O7Si
Molecular Weight568.66 g/mol
Exact Mass568.21
IUPAC Name7-(6-triethoxysilylhexoxy)-3-[2-(trifluoromethoxy)phenyl]chromen-2-one
SMILESCCO[Si](CCCCCCOc1ccc2cc(-c3ccccc3OC(F)(F)F)c(=O)oc2c1)(OCC)OCC
InChIInChI=1S/C28H35F3O7Si/c1-4-34-39(35-5-2,36-6-3)18-12-8-7-11-17-33-22-16-15-21-19-24(27(32)37-26(21)20-22)23-13-9-10-14-25(23)38-28(29,30)31/h9-10,13-16,19-20H,4-8,11-12,17-18H2,1-3H3
InChIKeyNECDDSXQYMCWAZ-UHFFFAOYSA-N
XLogP7.35
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.66
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-(3,4-difluoro-6-triethoxysilylhexoxy)-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-2-one
CID 153305956
7-[8-[dimethoxy(methyl)silyl]octoxy]-3-(2-ethylphenyl)chromen-2-one
CID 153306007
3-(2-ethylphenyl)-7-[6-[[6-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxyhexyl-methoxy-methylsilyl]oxy-methoxy-methylsilyl]hexoxy]chromen-2-one
CID 153305926
7-[5-hydroxy-2,4,4,6,6,8-hexamethyl-8-[3-[4-methyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxynonan-2-yl]oxy-3-[4-methyl-2-(trifluoromethoxy)phenyl]chromen-2-one
CID 155236244
triethoxy(5-phenoxypentyl)silane
CID 69261827
11-[2-oxo-3-[2-(trifluoromethoxy)phenyl]pyrano[2,3-b]pyridin-7-yl]oxyundecyl 2,2,3,5,5-pentamethylhexanoate
CID 166860821
[3,3,4,4,5,5,6,6-octafluoro-8-[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxyoctyl] prop-2-enoate
CID 153306097
[3,3,4,4,5,5,6,6-octafluoro-8-[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxyoctyl] 2-methylprop-2-enoate
CID 153306075
7-[8-[diethoxy(methyl)silyl]-3,3,4,4,5,5,6,6-octafluorooctoxy]-3-(3-methoxy-5-pentylfuran-2-yl)chromen-2-one
CID 153306011
3-[4-ethyl-2-(trifluoromethoxy)phenyl]-7-hydroxychromen-2-one
CID 138735929
[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate
CID 153306152
3-(4-butoxyphenyl)-7-(hydroxymethoxy)chromen-2-one
CID 126606414

Frequently Asked Questions

What is the IUPAC name of 7-(6-triethoxysilylhexoxy)-3-[2-(trifluoromethoxy)phenyl]chromen-2-one?
The IUPAC name of 7-(6-triethoxysilylhexoxy)-3-[2-(trifluoromethoxy)phenyl]chromen-2-one (CID 153305937) is 7-(6-triethoxysilylhexoxy)-3-[2-(trifluoromethoxy)phenyl]chromen-2-one.
What is the SMILES notation for 7-(6-triethoxysilylhexoxy)-3-[2-(trifluoromethoxy)phenyl]chromen-2-one?
The canonical SMILES for 7-(6-triethoxysilylhexoxy)-3-[2-(trifluoromethoxy)phenyl]chromen-2-one is CCO[Si](CCCCCCOc1ccc2cc(-c3ccccc3OC(F)(F)F)c(=O)oc2c1)(OCC)OCC.
What is the InChIKey of 7-(6-triethoxysilylhexoxy)-3-[2-(trifluoromethoxy)phenyl]chromen-2-one?
The InChIKey is NECDDSXQYMCWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F3O7Si/c1-4-34-39(35-5-2,36-6-3)18-12-8-7-11-17-33-22-16-15-21-19-24(27(32)37-26(21)20-22)23-13-9-10-14-25(23)38-28(29,30)31/h9-10,13-16,19-20H,4-8,11-12,17-18H2,1-3H3.
What are the key properties of 7-(6-triethoxysilylhexoxy)-3-[2-(trifluoromethoxy)phenyl]chromen-2-one?
7-(6-triethoxysilylhexoxy)-3-[2-(trifluoromethoxy)phenyl]chromen-2-one has a molecular weight of 568.66 g/mol, XLogP of 7.35, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-triethoxysilylhexoxy)-3-[2-(trifluoromethoxy)phenyl]chromen-2-one is sourced from PubChem (CID 153305937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).