[1-[1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-2,2,6,6-tetramethylpiperidin-4-yl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

C45H71NO6 — CID 139795417

IUPAC[1-[1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-2,2,6,6-tetramethylpiperidin-4-yl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
SMILESCC(C(=O)OC1CC(C)(C)N(C(C)OC(=O)C(C)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(C)(C)C1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C45H71NO6/c1-26(29-20-32(40(4,5)6)36(47)33(21-29)41(7,8)9)38(49)51-28(3)46-44(16,17)24-31(25-45(46,18)19)52-39(50)27(2)30-22-34(42(10,11)12)37(48)35(23-30)43(13,14)15/h20-23,26-28,31,47-48H,24-25H2,1-19H3
InChIKeyBIHNAEOFGKISQI-UHFFFAOYSA-N
MW722.06 g/mol
LogP10.65
Rot. Bonds7

About [1-[1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-2,2,6,6-tetramethylpiperidin-4-yl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

[1-[1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-2,2,6,6-tetramethylpiperidin-4-yl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate (PubChem CID 139795417) has the molecular formula C45H71NO6 and a molecular weight of 722.06 g/mol. Its IUPAC name is [1-[1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-2,2,6,6-tetramethylpiperidin-4-yl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Name[1-[1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-2,2,6,6-tetramethylpiperidin-4-yl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
PubChem CID139795417
Molecular FormulaC45H71NO6
Molecular Weight722.06 g/mol
Exact Mass721.53
IUPAC Name[1-[1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-2,2,6,6-tetramethylpiperidin-4-yl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
SMILESCC(C(=O)OC1CC(C)(C)N(C(C)OC(=O)C(C)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(C)(C)C1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C45H71NO6/c1-26(29-20-32(40(4,5)6)36(47)33(21-29)41(7,8)9)38(49)51-28(3)46-44(16,17)24-31(25-45(46,18)19)52-39(50)27(2)30-22-34(42(10,11)12)37(48)35(23-30)43(13,14)15/h20-23,26-28,31,47-48H,24-25H2,1-19H3
InChIKeyBIHNAEOFGKISQI-UHFFFAOYSA-N
XLogP10.65
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.06
LogP ≤ 510.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-[1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-2,2,6,6-tetramethylpiperidin-4-yl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate with MolForge

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Related Compounds

(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2,3-trimethylbutanoate
CID 143162480
bis(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-2-ethylpropanedioate
CID 88768078
heptyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 87087566
1-O-[5-(3,5-ditert-butyl-4-hydroxyphenyl)pentyl] 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)propanedioate
CID 87403894
2,6-bis(3,5-ditert-butyl-4-hydroxyphenyl)-4-ethylheptane-3,5-dione
CID 175451687
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-cyclopropyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
CID 91448406
(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-4-hydroxybenzoate
CID 19892345
[1-[2-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]-3,6-dimethylphenyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3,5-ditert-butyl-4-hydroxybenzoate
CID 23330840
(2,2,6,6-tetramethylthian-4-yl) 3,5-ditert-butyl-4-hydroxybenzoate
CID 19983009
[3,3,3-tris[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-dimethylpropyl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 171477753
2,3,4-trihydroxybutyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 175593103
tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)-3-cyanobutane-1,2,3-tricarboxylate
CID 23338194

Frequently Asked Questions

What is the IUPAC name of [1-[1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-2,2,6,6-tetramethylpiperidin-4-yl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
The IUPAC name of [1-[1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-2,2,6,6-tetramethylpiperidin-4-yl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate (CID 139795417) is [1-[1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-2,2,6,6-tetramethylpiperidin-4-yl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.
What is the SMILES notation for [1-[1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-2,2,6,6-tetramethylpiperidin-4-yl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
The canonical SMILES for [1-[1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-2,2,6,6-tetramethylpiperidin-4-yl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate is CC(C(=O)OC1CC(C)(C)N(C(C)OC(=O)C(C)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(C)(C)C1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of [1-[1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-2,2,6,6-tetramethylpiperidin-4-yl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
The InChIKey is BIHNAEOFGKISQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H71NO6/c1-26(29-20-32(40(4,5)6)36(47)33(21-29)41(7,8)9)38(49)51-28(3)46-44(16,17)24-31(25-45(46,18)19)52-39(50)27(2)30-22-34(42(10,11)12)37(48)35(23-30)43(13,14)15/h20-23,26-28,31,47-48H,24-25H2,1-19H3.
What are the key properties of [1-[1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-2,2,6,6-tetramethylpiperidin-4-yl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
[1-[1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-2,2,6,6-tetramethylpiperidin-4-yl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate has a molecular weight of 722.06 g/mol, XLogP of 10.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-2,2,6,6-tetramethylpiperidin-4-yl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate is sourced from PubChem (CID 139795417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).