7-[8-[dimethoxy(methyl)silyl]octoxy]-3-(2-ethylphenyl)chromen-2-one

C28H38O5Si — CID 153306007

IUPAC7-[8-[dimethoxy(methyl)silyl]octoxy]-3-(2-ethylphenyl)chromen-2-one
SMILESCCc1ccccc1-c1cc2ccc(OCCCCCCCC[Si](C)(OC)OC)cc2oc1=O
InChIInChI=1S/C28H38O5Si/c1-5-22-14-10-11-15-25(22)26-20-23-16-17-24(21-27(23)33-28(26)29)32-18-12-8-6-7-9-13-19-34(4,30-2)31-3/h10-11,14-17,20-21H,5-9,12-13,18-19H2,1-4H3
InChIKeyGYAIXRMKRLTMBZ-UHFFFAOYSA-N
MW482.69 g/mol
LogP7.11
Rot. Bonds14

About 7-[8-[dimethoxy(methyl)silyl]octoxy]-3-(2-ethylphenyl)chromen-2-one

7-[8-[dimethoxy(methyl)silyl]octoxy]-3-(2-ethylphenyl)chromen-2-one (PubChem CID 153306007) has the molecular formula C28H38O5Si and a molecular weight of 482.69 g/mol. Its IUPAC name is 7-[8-[dimethoxy(methyl)silyl]octoxy]-3-(2-ethylphenyl)chromen-2-one.

Molecular Properties

Compound Name7-[8-[dimethoxy(methyl)silyl]octoxy]-3-(2-ethylphenyl)chromen-2-one
PubChem CID153306007
Molecular FormulaC28H38O5Si
Molecular Weight482.69 g/mol
Exact Mass482.25
IUPAC Name7-[8-[dimethoxy(methyl)silyl]octoxy]-3-(2-ethylphenyl)chromen-2-one
SMILESCCc1ccccc1-c1cc2ccc(OCCCCCCCC[Si](C)(OC)OC)cc2oc1=O
InChIInChI=1S/C28H38O5Si/c1-5-22-14-10-11-15-25(22)26-20-23-16-17-24(21-27(23)33-28(26)29)32-18-12-8-6-7-9-13-19-34(4,30-2)31-3/h10-11,14-17,20-21H,5-9,12-13,18-19H2,1-4H3
InChIKeyGYAIXRMKRLTMBZ-UHFFFAOYSA-N
XLogP7.11
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.69
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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-[4-(ethenoxymethoxy)-7-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxyheptoxy]-3-(2-ethylphenyl)chromen-2-one
CID 153454840
7-(6-triethoxysilylhexoxy)-3-[2-(trifluoromethoxy)phenyl]chromen-2-one
CID 153305937
[6-[1,7-bis[[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy]heptan-4-yloxy]-5-hydroxyhexyl] prop-2-enoate
CID 153454812
[6-[1,3-bis[[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy]propan-2-yloxy]-5-hydroxyhexyl] 2-methylprop-2-enoate
CID 146412134
[5-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] 2-methylprop-2-enoate
CID 153306096
[5-[1,7-bis[[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy]heptan-4-yloxy]-2,2,3,3,4,4-hexafluoropentyl] 2-methylprop-2-enoate
CID 153454792
3-(4-butoxyphenyl)-7-(hydroxymethoxy)chromen-2-one
CID 126606414
3-(2-ethyl-4-hexylphenyl)-7-methoxychromen-2-one
CID 166685960
12-[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxydodecyl prop-2-enoate
CID 162487863
7-[6-[diethoxy(methyl)silyl]-3,4-difluorohexoxy]-3-(2-ethyl-4-pentylphenyl)chromen-2-one
CID 153305950
[5-[1,3-bis[[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy]propan-2-yloxy]-2,2,3,3,4,4-hexafluoropentyl] 2-methylprop-2-enoate
CID 146412119

Frequently Asked Questions

What is the IUPAC name of 7-[8-[dimethoxy(methyl)silyl]octoxy]-3-(2-ethylphenyl)chromen-2-one?
The IUPAC name of 7-[8-[dimethoxy(methyl)silyl]octoxy]-3-(2-ethylphenyl)chromen-2-one (CID 153306007) is 7-[8-[dimethoxy(methyl)silyl]octoxy]-3-(2-ethylphenyl)chromen-2-one.
What is the SMILES notation for 7-[8-[dimethoxy(methyl)silyl]octoxy]-3-(2-ethylphenyl)chromen-2-one?
The canonical SMILES for 7-[8-[dimethoxy(methyl)silyl]octoxy]-3-(2-ethylphenyl)chromen-2-one is CCc1ccccc1-c1cc2ccc(OCCCCCCCC[Si](C)(OC)OC)cc2oc1=O.
What is the InChIKey of 7-[8-[dimethoxy(methyl)silyl]octoxy]-3-(2-ethylphenyl)chromen-2-one?
The InChIKey is GYAIXRMKRLTMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38O5Si/c1-5-22-14-10-11-15-25(22)26-20-23-16-17-24(21-27(23)33-28(26)29)32-18-12-8-6-7-9-13-19-34(4,30-2)31-3/h10-11,14-17,20-21H,5-9,12-13,18-19H2,1-4H3.
What are the key properties of 7-[8-[dimethoxy(methyl)silyl]octoxy]-3-(2-ethylphenyl)chromen-2-one?
7-[8-[dimethoxy(methyl)silyl]octoxy]-3-(2-ethylphenyl)chromen-2-one has a molecular weight of 482.69 g/mol, XLogP of 7.11, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[8-[dimethoxy(methyl)silyl]octoxy]-3-(2-ethylphenyl)chromen-2-one is sourced from PubChem (CID 153306007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).