[2-[[2-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoyloxy]-3-tert-butyl-5-ethylphenyl]methyl]-6-tert-butyl-4-ethylphenyl] 3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate

C73H96O8 — CID 57156364

IUPAC[2-[[2-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoyloxy]-3-tert-butyl-5-ethylphenyl]methyl]-6-tert-butyl-4-ethylphenyl] 3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate
SMILESCCc1cc(Cc2cc(CC)cc(C(C)(C)C)c2OC(=O)CC(C)(c2ccc(O)c(C(C)(C)C)c2)c2ccc(O)c(C(C)(C)C)c2)c(OC(=O)CC(C)(c2ccc(O)c(C(C)(C)C)c2)c2ccc(O)c(C(C)(C)C)c2)c(C(C)(C)C)c1
InChIInChI=1S/C73H96O8/c1-23-44-33-46(64(56(35-44)70(15,16)17)80-62(78)42-72(21,48-25-29-58(74)52(38-48)66(3,4)5)49-26-30-59(75)53(39-49)67(6,7)8)37-47-34-45(24-2)36-57(71(18,19)20)65(47)81-63(79)43-73(22,50-27-31-60(76)54(40-50)68(9,10)11)51-28-32-61(77)55(41-51)69(12,13)14/h25-36,38-41,74-77H,23-24,37,42-43H2,1-22H3
InChIKeyJAGJDLCNGSBXNR-UHFFFAOYSA-N
MW1101.56 g/mol
LogP17.61
Rot. Bonds14

About [2-[[2-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoyloxy]-3-tert-butyl-5-ethylphenyl]methyl]-6-tert-butyl-4-ethylphenyl] 3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate

[2-[[2-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoyloxy]-3-tert-butyl-5-ethylphenyl]methyl]-6-tert-butyl-4-ethylphenyl] 3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate (PubChem CID 57156364) has the molecular formula C73H96O8 and a molecular weight of 1101.56 g/mol. Its IUPAC name is [2-[[2-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoyloxy]-3-tert-butyl-5-ethylphenyl]methyl]-6-tert-butyl-4-ethylphenyl] 3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate.

Molecular Properties

Compound Name[2-[[2-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoyloxy]-3-tert-butyl-5-ethylphenyl]methyl]-6-tert-butyl-4-ethylphenyl] 3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate
PubChem CID57156364
Molecular FormulaC73H96O8
Molecular Weight1101.56 g/mol
Exact Mass1100.71
IUPAC Name[2-[[2-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoyloxy]-3-tert-butyl-5-ethylphenyl]methyl]-6-tert-butyl-4-ethylphenyl] 3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate
SMILESCCc1cc(Cc2cc(CC)cc(C(C)(C)C)c2OC(=O)CC(C)(c2ccc(O)c(C(C)(C)C)c2)c2ccc(O)c(C(C)(C)C)c2)c(OC(=O)CC(C)(c2ccc(O)c(C(C)(C)C)c2)c2ccc(O)c(C(C)(C)C)c2)c(C(C)(C)C)c1
InChIInChI=1S/C73H96O8/c1-23-44-33-46(64(56(35-44)70(15,16)17)80-62(78)42-72(21,48-25-29-58(74)52(38-48)66(3,4)5)49-26-30-59(75)53(39-49)67(6,7)8)37-47-34-45(24-2)36-57(71(18,19)20)65(47)81-63(79)43-73(22,50-27-31-60(76)54(40-50)68(9,10)11)51-28-32-61(77)55(41-51)69(12,13)14/h25-36,38-41,74-77H,23-24,37,42-43H2,1-22H3
InChIKeyJAGJDLCNGSBXNR-UHFFFAOYSA-N
XLogP17.61
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001101.56
LogP ≤ 517.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [2-[[2-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoyloxy]-3-tert-butyl-5-ethylphenyl]methyl]-6-tert-butyl-4-ethylphenyl] 3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate with MolForge

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Related Compounds

[2-tert-butyl-6-[[3-tert-butyl-5-ethyl-2-(2-methylprop-2-enoyloxy)phenyl]methyl]-4-ethylphenyl] 2-methylprop-2-enoate
CID 18629559
4,4-bis(3-tert-butyl-4-hydroxyphenyl)pentan-2-one
CID 88553767
octyl 3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate
CID 151797851
bis(2-tert-butyl-4-ethylphenol);methane
CID 174954816
3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoic acid;butane-1,4-diol
CID 88821421
[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-ethylphenyl] prop-2-enoate
CID 141279704
bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl] benzene-1,4-dicarboxylate;(3-tert-butyl-4-hydroxyphenyl) butanoate
CID 159225823
(2,4-ditert-butylphenyl) 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetate
CID 14832985
[2,4-bis(2-methylbutan-2-yl)phenyl] 3-tert-butyl-4-hydroxybenzoate
CID 14765967
2,2,3-tris(3-tert-butyl-4-hydroxyphenyl)propanoic acid
CID 175040042
ethyl 3-(5-tert-butyl-4-hydroxycyclohexa-1,5-dien-1-yl)-3-(3-tert-butyl-4-hydroxyphenyl)butanoate
CID 90721828
2-[3,3-bis[3-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]butanoyloxy]ethyl 3,3-bis[3-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]butanoate
CID 118443282

Frequently Asked Questions

What is the IUPAC name of [2-[[2-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoyloxy]-3-tert-butyl-5-ethylphenyl]methyl]-6-tert-butyl-4-ethylphenyl] 3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate?
The IUPAC name of [2-[[2-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoyloxy]-3-tert-butyl-5-ethylphenyl]methyl]-6-tert-butyl-4-ethylphenyl] 3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate (CID 57156364) is [2-[[2-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoyloxy]-3-tert-butyl-5-ethylphenyl]methyl]-6-tert-butyl-4-ethylphenyl] 3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate.
What is the SMILES notation for [2-[[2-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoyloxy]-3-tert-butyl-5-ethylphenyl]methyl]-6-tert-butyl-4-ethylphenyl] 3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate?
The canonical SMILES for [2-[[2-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoyloxy]-3-tert-butyl-5-ethylphenyl]methyl]-6-tert-butyl-4-ethylphenyl] 3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate is CCc1cc(Cc2cc(CC)cc(C(C)(C)C)c2OC(=O)CC(C)(c2ccc(O)c(C(C)(C)C)c2)c2ccc(O)c(C(C)(C)C)c2)c(OC(=O)CC(C)(c2ccc(O)c(C(C)(C)C)c2)c2ccc(O)c(C(C)(C)C)c2)c(C(C)(C)C)c1.
What is the InChIKey of [2-[[2-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoyloxy]-3-tert-butyl-5-ethylphenyl]methyl]-6-tert-butyl-4-ethylphenyl] 3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate?
The InChIKey is JAGJDLCNGSBXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H96O8/c1-23-44-33-46(64(56(35-44)70(15,16)17)80-62(78)42-72(21,48-25-29-58(74)52(38-48)66(3,4)5)49-26-30-59(75)53(39-49)67(6,7)8)37-47-34-45(24-2)36-57(71(18,19)20)65(47)81-63(79)43-73(22,50-27-31-60(76)54(40-50)68(9,10)11)51-28-32-61(77)55(41-51)69(12,13)14/h25-36,38-41,74-77H,23-24,37,42-43H2,1-22H3.
What are the key properties of [2-[[2-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoyloxy]-3-tert-butyl-5-ethylphenyl]methyl]-6-tert-butyl-4-ethylphenyl] 3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate?
[2-[[2-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoyloxy]-3-tert-butyl-5-ethylphenyl]methyl]-6-tert-butyl-4-ethylphenyl] 3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate has a molecular weight of 1101.56 g/mol, XLogP of 17.61, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoyloxy]-3-tert-butyl-5-ethylphenyl]methyl]-6-tert-butyl-4-ethylphenyl] 3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate is sourced from PubChem (CID 57156364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).