ethyl 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-2-(2-ethoxy-2-oxoethoxy)-3-ethylphenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]phenoxy]acetate

C61H84O12 — CID 88557090

IUPACethyl 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-2-(2-ethoxy-2-oxoethoxy)-3-ethylphenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)cc(CC)c3OCC(=O)OCC)c2OCC(=O)OCC)c1OCC(=O)OCC
InChIInChI=1S/C61H84O12/c1-18-39-28-47(59(9,10)11)31-42(55(39)71-36-52(63)67-20-3)26-43-32-49(61(15,16)17)34-45(57(43)73-38-54(65)69-22-5)27-44-33-48(60(12,13)14)30-41(56(44)72-37-53(64)68-21-4)25-40-29-46(58(6,7)8)23-24-50(40)70-35-51(62)66-19-2/h23-24,28-34H,18-22,25-27,35-38H2,1-17H3
InChIKeyUNIVFZXCTQTUSW-UHFFFAOYSA-N
MW1009.33 g/mol
LogP11.98
Rot. Bonds23

About ethyl 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-2-(2-ethoxy-2-oxoethoxy)-3-ethylphenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]phenoxy]acetate

ethyl 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-2-(2-ethoxy-2-oxoethoxy)-3-ethylphenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]phenoxy]acetate (PubChem CID 88557090) has the molecular formula C61H84O12 and a molecular weight of 1009.33 g/mol. Its IUPAC name is ethyl 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-2-(2-ethoxy-2-oxoethoxy)-3-ethylphenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-2-(2-ethoxy-2-oxoethoxy)-3-ethylphenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]phenoxy]acetate
PubChem CID88557090
Molecular FormulaC61H84O12
Molecular Weight1009.33 g/mol
Exact Mass1008.60
IUPAC Nameethyl 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-2-(2-ethoxy-2-oxoethoxy)-3-ethylphenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)cc(CC)c3OCC(=O)OCC)c2OCC(=O)OCC)c1OCC(=O)OCC
InChIInChI=1S/C61H84O12/c1-18-39-28-47(59(9,10)11)31-42(55(39)71-36-52(63)67-20-3)26-43-32-49(61(15,16)17)34-45(57(43)73-38-54(65)69-22-5)27-44-33-48(60(12,13)14)30-41(56(44)72-37-53(64)68-21-4)25-40-29-46(58(6,7)8)23-24-50(40)70-35-51(62)66-19-2/h23-24,28-34H,18-22,25-27,35-38H2,1-17H3
InChIKeyUNIVFZXCTQTUSW-UHFFFAOYSA-N
XLogP11.98
TPSA142.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001009.33
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-2-(2-ethoxy-2-oxoethoxy)-3-ethylphenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]phenoxy]acetate with MolForge

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Related Compounds

ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate
CID 82553794
2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]acetic acid;2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]-N-hydroxyacetamide
CID 161280336
5-tert-butyl-1,3-bis[[5-tert-butyl-2-(methoxymethoxy)phenyl]methyl]-2-(methoxymethoxy)benzene
CID 134864041
ethyl 2-[[5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrakis(2-ethoxy-2-oxoethoxy)-31-hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaenyl]oxy]acetate
CID 15330424
ethyl 2-(4-tert-butyl-2-methyl-6-sulfanylphenoxy)acetate
CID 58106112
ethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate
CID 140674164
ethyl 2-[2-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-ethyl-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-6-methyl-4-(2,3,3-trimethylbutan-2-yl)phenoxy]acetate
CID 161440832
ethyl 2-[[5,11,17,23-tetratert-butyl-26,27-bis(2-ethoxy-2-oxoethoxy)-28-hydroxy-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-yl]oxy]acetate
CID 11228463
ethyl 2-[[5,11,17,23-tetratert-butyl-27-(2-ethoxy-2-oxoethoxy)-26,28-dihydroxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetate
CID 10887342
1-(4-tert-butyl-2-methylphenoxy)pentan-2-one
CID 62044482
ethyl 2-(4-bromo-2,3,5-trimethylphenoxy)acetate
CID 86047360
ethyl 2-(2-acetyl-4-ethyl-3-hydroxyphenoxy)acetate
CID 86058897

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-2-(2-ethoxy-2-oxoethoxy)-3-ethylphenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-2-(2-ethoxy-2-oxoethoxy)-3-ethylphenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]phenoxy]acetate (CID 88557090) is ethyl 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-2-(2-ethoxy-2-oxoethoxy)-3-ethylphenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-2-(2-ethoxy-2-oxoethoxy)-3-ethylphenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-2-(2-ethoxy-2-oxoethoxy)-3-ethylphenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]phenoxy]acetate is CCOC(=O)COc1ccc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)cc(CC)c3OCC(=O)OCC)c2OCC(=O)OCC)c1OCC(=O)OCC.
What is the InChIKey of ethyl 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-2-(2-ethoxy-2-oxoethoxy)-3-ethylphenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]phenoxy]acetate?
The InChIKey is UNIVFZXCTQTUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H84O12/c1-18-39-28-47(59(9,10)11)31-42(55(39)71-36-52(63)67-20-3)26-43-32-49(61(15,16)17)34-45(57(43)73-38-54(65)69-22-5)27-44-33-48(60(12,13)14)30-41(56(44)72-37-53(64)68-21-4)25-40-29-46(58(6,7)8)23-24-50(40)70-35-51(62)66-19-2/h23-24,28-34H,18-22,25-27,35-38H2,1-17H3.
What are the key properties of ethyl 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-2-(2-ethoxy-2-oxoethoxy)-3-ethylphenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]phenoxy]acetate?
ethyl 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-2-(2-ethoxy-2-oxoethoxy)-3-ethylphenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]phenoxy]acetate has a molecular weight of 1009.33 g/mol, XLogP of 11.98, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-2-(2-ethoxy-2-oxoethoxy)-3-ethylphenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]phenoxy]acetate is sourced from PubChem (CID 88557090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).