1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol

C128H172O24 — CID 160931778

IUPAC1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol
SMILES[2H]c1c([2H])c(C)c([2H])c(OC([2H])([2H])C(O)C([2H])([2H])CC([2H])([2H])Cc2c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC([2H])([2H])[2H])c2[2H])c1[2H].[2H]c1c([2H])c(C)c([2H])c(OC([2H])([2H])C(O)C([2H])([2H])CC([2H])([2H])Cc2c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC)c2[2H])c1[2H].[2H]c1c([2H])c(C)c([2H])c(OC([2H])([2H])C(O)C([2H])([2H])CC([2H])([2H])Cc2c([2H])c([2H])c(OC)c(OC([2H])([2H])[2H])c2[2H])c1[2H].[2H]c1c([2H])c(C)c([2H])c(OC([2H])([2H])C(O)C([2H])([2H])CC([2H])([2H])Cc2c([2H])c([2H])c(OC)c(OC)c2[2H])c1[2H].[2H]c1c([2H])c(OC([2H])([2H])C(O)C([2H])([2H])CC([2H])([2H])Cc2c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC([2H])([2H])[2H])c2[2H])c([2H])c(C)c1C.[2H]c1c([2H])c(OC([2H])([2H])C(O)C([2H])([2H])CC([2H])([2H])Cc2c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC)c2[2H])c([2H])c(C)c1C
InChIInChI=1S/2C22H30O4.4C21H28O4/c2*1-16-9-11-20(13-17(16)2)26-15-19(23)8-6-5-7-18-10-12-21(24-3)22(14-18)25-4;4*1-16-7-6-10-19(13-16)25-15-18(22)9-5-4-8-17-11-12-20(23-2)21(14-17)24-3/h2*9-14,19,23H,5-8,15H2,1-4H3;4*6-7,10-14,18,22H,4-5,8-9,15H2,1-3H3/i3D3,4D3,5D2,8D2,9D,10D,11D,12D,13D,14D,15D2;3D3,5D2,8D2,9D,10D,11D,12D,13D,14D,15D2;2D3,3D3,4D2,6D,7D,9D2,10D,11D,12D,13D,14D,15D2;3D3,4D2,6D,7D,9D2,10D,11D,12D,13D,14D,15D2;2D3,4D2,6D,7D,9D2,10D,11D,12D,13D,14D,15D2;4D2,6D,7D,9D2,10D,11D,12D,13D,14D,15D2
InChIKeySTIYNGNIEMVMJT-RHPJKQHASA-N
MW2192.35 g/mol
LogP25.61
Rot. Bonds67

About 1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol

1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol (PubChem CID 160931778) has the molecular formula C128H172O24 and a molecular weight of 2192.35 g/mol. Its IUPAC name is 1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol.

Molecular Properties

Compound Name1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol
PubChem CID160931778
Molecular FormulaC128H172O24
Molecular Weight2192.35 g/mol
Exact Mass2190.83
IUPAC Name1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol
SMILES[2H]c1c([2H])c(C)c([2H])c(OC([2H])([2H])C(O)C([2H])([2H])CC([2H])([2H])Cc2c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC([2H])([2H])[2H])c2[2H])c1[2H].[2H]c1c([2H])c(C)c([2H])c(OC([2H])([2H])C(O)C([2H])([2H])CC([2H])([2H])Cc2c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC)c2[2H])c1[2H].[2H]c1c([2H])c(C)c([2H])c(OC([2H])([2H])C(O)C([2H])([2H])CC([2H])([2H])Cc2c([2H])c([2H])c(OC)c(OC([2H])([2H])[2H])c2[2H])c1[2H].[2H]c1c([2H])c(C)c([2H])c(OC([2H])([2H])C(O)C([2H])([2H])CC([2H])([2H])Cc2c([2H])c([2H])c(OC)c(OC)c2[2H])c1[2H].[2H]c1c([2H])c(OC([2H])([2H])C(O)C([2H])([2H])CC([2H])([2H])Cc2c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC([2H])([2H])[2H])c2[2H])c([2H])c(C)c1C.[2H]c1c([2H])c(OC([2H])([2H])C(O)C([2H])([2H])CC([2H])([2H])Cc2c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC)c2[2H])c([2H])c(C)c1C
InChIInChI=1S/2C22H30O4.4C21H28O4/c2*1-16-9-11-20(13-17(16)2)26-15-19(23)8-6-5-7-18-10-12-21(24-3)22(14-18)25-4;4*1-16-7-6-10-19(13-16)25-15-18(22)9-5-4-8-17-11-12-20(23-2)21(14-17)24-3/h2*9-14,19,23H,5-8,15H2,1-4H3;4*6-7,10-14,18,22H,4-5,8-9,15H2,1-3H3/i3D3,4D3,5D2,8D2,9D,10D,11D,12D,13D,14D,15D2;3D3,5D2,8D2,9D,10D,11D,12D,13D,14D,15D2;2D3,3D3,4D2,6D,7D,9D2,10D,11D,12D,13D,14D,15D2;3D3,4D2,6D,7D,9D2,10D,11D,12D,13D,14D,15D2;2D3,4D2,6D,7D,9D2,10D,11D,12D,13D,14D,15D2;4D2,6D,7D,9D2,10D,11D,12D,13D,14D,15D2
InChIKeySTIYNGNIEMVMJT-RHPJKQHASA-N
XLogP25.61
TPSA287.52 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds67
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002192.35
LogP ≤ 525.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze 1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol?
The IUPAC name of 1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol (CID 160931778) is 1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol.
What is the SMILES notation for 1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol?
The canonical SMILES for 1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol is [2H]c1c([2H])c(C)c([2H])c(OC([2H])([2H])C(O)C([2H])([2H])CC([2H])([2H])Cc2c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC([2H])([2H])[2H])c2[2H])c1[2H].[2H]c1c([2H])c(C)c([2H])c(OC([2H])([2H])C(O)C([2H])([2H])CC([2H])([2H])Cc2c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC)c2[2H])c1[2H].[2H]c1c([2H])c(C)c([2H])c(OC([2H])([2H])C(O)C([2H])([2H])CC([2H])([2H])Cc2c([2H])c([2H])c(OC)c(OC([2H])([2H])[2H])c2[2H])c1[2H].[2H]c1c([2H])c(C)c([2H])c(OC([2H])([2H])C(O)C([2H])([2H])CC([2H])([2H])Cc2c([2H])c([2H])c(OC)c(OC)c2[2H])c1[2H].[2H]c1c([2H])c(OC([2H])([2H])C(O)C([2H])([2H])CC([2H])([2H])Cc2c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC([2H])([2H])[2H])c2[2H])c([2H])c(C)c1C.[2H]c1c([2H])c(OC([2H])([2H])C(O)C([2H])([2H])CC([2H])([2H])Cc2c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC)c2[2H])c([2H])c(C)c1C.
What is the InChIKey of 1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol?
The InChIKey is STIYNGNIEMVMJT-RHPJKQHASA-N. The full InChI is InChI=1S/2C22H30O4.4C21H28O4/c2*1-16-9-11-20(13-17(16)2)26-15-19(23)8-6-5-7-18-10-12-21(24-3)22(14-18)25-4;4*1-16-7-6-10-19(13-16)25-15-18(22)9-5-4-8-17-11-12-20(23-2)21(14-17)24-3/h2*9-14,19,23H,5-8,15H2,1-4H3;4*6-7,10-14,18,22H,4-5,8-9,15H2,1-3H3/i3D3,4D3,5D2,8D2,9D,10D,11D,12D,13D,14D,15D2;3D3,5D2,8D2,9D,10D,11D,12D,13D,14D,15D2;2D3,3D3,4D2,6D,7D,9D2,10D,11D,12D,13D,14D,15D2;3D3,4D2,6D,7D,9D2,10D,11D,12D,13D,14D,15D2;2D3,4D2,6D,7D,9D2,10D,11D,12D,13D,14D,15D2;4D2,6D,7D,9D2,10D,11D,12D,13D,14D,15D2.
What are the key properties of 1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol?
1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol has a molecular weight of 2192.35 g/mol, XLogP of 25.61, 67 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol is sourced from PubChem (CID 160931778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).