5-(2,6-dimethylphenoxy)-2-methoxy-1,3-dimethylbenzene;4-[4-[4-[3-[[[3-[4-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-dimethylphenoxy]-3-methoxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]-2,6-dimethylphenoxy]-2,6-dimethylphenol;methane;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene

C96H130O12Si3 — CID 158154205

IUPAC5-(2,6-dimethylphenoxy)-2-methoxy-1,3-dimethylbenzene;4-[4-[4-[3-[[[3-[4-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-dimethylphenoxy]-3-methoxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]-2,6-dimethylphenoxy]-2,6-dimethylphenol;methane;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene
SMILESC.C.C.COc1c(C)cc(Oc2c(C)cccc2C)cc1C.COc1cc(CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCc2ccc(Oc3cc(C)c(Oc4cc(C)c(O)c(C)c4)c(C)c3)c(OC)c2)ccc1Oc1cc(C)c(Oc2cc(C)c(O)c(C)c2)c(C)c1.Cc1cc(-c2cc(C)c(C)c(C)c2)cc(C)c1C
InChIInChI=1S/C58H76O10Si3.C18H22.C17H20O2.3CH4/c1-37-27-49(28-38(2)55(37)59)65-57-41(5)31-47(32-42(57)6)63-51-23-21-45(35-53(51)61-9)19-17-25-69(11,12)67-71(15,16)68-70(13,14)26-18-20-46-22-24-52(54(36-46)62-10)64-48-33-43(7)58(44(8)34-48)66-50-29-39(3)56(60)40(4)30-50;1-11-7-17(8-12(2)15(11)5)18-9-13(3)16(6)14(4)10-18;1-11-7-6-8-12(2)17(11)19-15-9-13(3)16(18-5)14(4)10-15;;;/h21-24,27-36,59-60H,17-20,25-26H2,1-16H3;7-10H,1-6H3;6-10H,1-5H3;3*1H4
InChIKeyFVMDKRZAYCPEJO-UHFFFAOYSA-N
MW1560.34 g/mol
LogP28.30
Rot. Bonds26

About 5-(2,6-dimethylphenoxy)-2-methoxy-1,3-dimethylbenzene;4-[4-[4-[3-[[[3-[4-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-dimethylphenoxy]-3-methoxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]-2,6-dimethylphenoxy]-2,6-dimethylphenol;methane;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene

5-(2,6-dimethylphenoxy)-2-methoxy-1,3-dimethylbenzene;4-[4-[4-[3-[[[3-[4-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-dimethylphenoxy]-3-methoxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]-2,6-dimethylphenoxy]-2,6-dimethylphenol;methane;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene (PubChem CID 158154205) has the molecular formula C96H130O12Si3 and a molecular weight of 1560.34 g/mol. Its IUPAC name is 5-(2,6-dimethylphenoxy)-2-methoxy-1,3-dimethylbenzene;4-[4-[4-[3-[[[3-[4-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-dimethylphenoxy]-3-methoxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]-2,6-dimethylphenoxy]-2,6-dimethylphenol;methane;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene.

Molecular Properties

Compound Name5-(2,6-dimethylphenoxy)-2-methoxy-1,3-dimethylbenzene;4-[4-[4-[3-[[[3-[4-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-dimethylphenoxy]-3-methoxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]-2,6-dimethylphenoxy]-2,6-dimethylphenol;methane;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene
PubChem CID158154205
Molecular FormulaC96H130O12Si3
Molecular Weight1560.34 g/mol
Exact Mass1558.89
IUPAC Name5-(2,6-dimethylphenoxy)-2-methoxy-1,3-dimethylbenzene;4-[4-[4-[3-[[[3-[4-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-dimethylphenoxy]-3-methoxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]-2,6-dimethylphenoxy]-2,6-dimethylphenol;methane;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene
SMILESC.C.C.COc1c(C)cc(Oc2c(C)cccc2C)cc1C.COc1cc(CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCc2ccc(Oc3cc(C)c(Oc4cc(C)c(O)c(C)c4)c(C)c3)c(OC)c2)ccc1Oc1cc(C)c(Oc2cc(C)c(O)c(C)c2)c(C)c1.Cc1cc(-c2cc(C)c(C)c(C)c2)cc(C)c1C
InChIInChI=1S/C58H76O10Si3.C18H22.C17H20O2.3CH4/c1-37-27-49(28-38(2)55(37)59)65-57-41(5)31-47(32-42(57)6)63-51-23-21-45(35-53(51)61-9)19-17-25-69(11,12)67-71(15,16)68-70(13,14)26-18-20-46-22-24-52(54(36-46)62-10)64-48-33-43(7)58(44(8)34-48)66-50-29-39(3)56(60)40(4)30-50;1-11-7-17(8-12(2)15(11)5)18-9-13(3)16(6)14(4)10-18;1-11-7-6-8-12(2)17(11)19-15-9-13(3)16(18-5)14(4)10-15;;;/h21-24,27-36,59-60H,17-20,25-26H2,1-16H3;7-10H,1-6H3;6-10H,1-5H3;3*1H4
InChIKeyFVMDKRZAYCPEJO-UHFFFAOYSA-N
XLogP28.30
TPSA132.76 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms111
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001560.34
LogP ≤ 528.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-(2,6-dimethylphenoxy)-2-methoxy-1,3-dimethylbenzene;4-[4-[4-[3-[[[3-[4-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-dimethylphenoxy]-3-methoxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]-2,6-dimethylphenoxy]-2,6-dimethylphenol;methane;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylphenoxy)-2-methoxy-1,3-dimethylbenzene;4-[4-[4-[3-[[[3-[4-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-dimethylphenoxy]-3-methoxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]-2,6-dimethylphenoxy]-2,6-dimethylphenol;methane;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene?
The IUPAC name of 5-(2,6-dimethylphenoxy)-2-methoxy-1,3-dimethylbenzene;4-[4-[4-[3-[[[3-[4-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-dimethylphenoxy]-3-methoxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]-2,6-dimethylphenoxy]-2,6-dimethylphenol;methane;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene (CID 158154205) is 5-(2,6-dimethylphenoxy)-2-methoxy-1,3-dimethylbenzene;4-[4-[4-[3-[[[3-[4-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-dimethylphenoxy]-3-methoxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]-2,6-dimethylphenoxy]-2,6-dimethylphenol;methane;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene.
What is the SMILES notation for 5-(2,6-dimethylphenoxy)-2-methoxy-1,3-dimethylbenzene;4-[4-[4-[3-[[[3-[4-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-dimethylphenoxy]-3-methoxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]-2,6-dimethylphenoxy]-2,6-dimethylphenol;methane;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene?
The canonical SMILES for 5-(2,6-dimethylphenoxy)-2-methoxy-1,3-dimethylbenzene;4-[4-[4-[3-[[[3-[4-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-dimethylphenoxy]-3-methoxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]-2,6-dimethylphenoxy]-2,6-dimethylphenol;methane;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene is C.C.C.COc1c(C)cc(Oc2c(C)cccc2C)cc1C.COc1cc(CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCc2ccc(Oc3cc(C)c(Oc4cc(C)c(O)c(C)c4)c(C)c3)c(OC)c2)ccc1Oc1cc(C)c(Oc2cc(C)c(O)c(C)c2)c(C)c1.Cc1cc(-c2cc(C)c(C)c(C)c2)cc(C)c1C.
What is the InChIKey of 5-(2,6-dimethylphenoxy)-2-methoxy-1,3-dimethylbenzene;4-[4-[4-[3-[[[3-[4-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-dimethylphenoxy]-3-methoxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]-2,6-dimethylphenoxy]-2,6-dimethylphenol;methane;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene?
The InChIKey is FVMDKRZAYCPEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H76O10Si3.C18H22.C17H20O2.3CH4/c1-37-27-49(28-38(2)55(37)59)65-57-41(5)31-47(32-42(57)6)63-51-23-21-45(35-53(51)61-9)19-17-25-69(11,12)67-71(15,16)68-70(13,14)26-18-20-46-22-24-52(54(36-46)62-10)64-48-33-43(7)58(44(8)34-48)66-50-29-39(3)56(60)40(4)30-50;1-11-7-17(8-12(2)15(11)5)18-9-13(3)16(6)14(4)10-18;1-11-7-6-8-12(2)17(11)19-15-9-13(3)16(18-5)14(4)10-15;;;/h21-24,27-36,59-60H,17-20,25-26H2,1-16H3;7-10H,1-6H3;6-10H,1-5H3;3*1H4.
What are the key properties of 5-(2,6-dimethylphenoxy)-2-methoxy-1,3-dimethylbenzene;4-[4-[4-[3-[[[3-[4-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-dimethylphenoxy]-3-methoxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]-2,6-dimethylphenoxy]-2,6-dimethylphenol;methane;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene?
5-(2,6-dimethylphenoxy)-2-methoxy-1,3-dimethylbenzene;4-[4-[4-[3-[[[3-[4-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-dimethylphenoxy]-3-methoxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]-2,6-dimethylphenoxy]-2,6-dimethylphenol;methane;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene has a molecular weight of 1560.34 g/mol, XLogP of 28.30, 26 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylphenoxy)-2-methoxy-1,3-dimethylbenzene;4-[4-[4-[3-[[[3-[4-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-dimethylphenoxy]-3-methoxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]-2,6-dimethylphenoxy]-2,6-dimethylphenol;methane;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene is sourced from PubChem (CID 158154205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).