[3-[6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoyloxy]-2,2,4,4-tetramethylcyclobutyl] 6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoate

C60H84O6 — CID 54509913

IUPAC[3-[6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoyloxy]-2,2,4,4-tetramethylcyclobutyl] 6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoate
SMILESCC(C)(C)c1cc(-c2ccccc2CCCCCC(=O)OC2C(C)(C)C(OC(=O)CCCCCc3ccccc3-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C60H84O6/c1-55(2,3)45-35-41(36-46(51(45)63)56(4,5)6)43-31-25-23-29-39(43)27-19-17-21-33-49(61)65-53-59(13,14)54(60(53,15)16)66-50(62)34-22-18-20-28-40-30-24-26-32-44(40)42-37-47(57(7,8)9)52(64)48(38-42)58(10,11)12/h23-26,29-32,35-38,53-54,63-64H,17-22,27-28,33-34H2,1-16H3
InChIKeyYIJPPMDJUZFLPR-UHFFFAOYSA-N
MW901.33 g/mol
LogP15.42
Rot. Bonds16

About [3-[6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoyloxy]-2,2,4,4-tetramethylcyclobutyl] 6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoate

[3-[6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoyloxy]-2,2,4,4-tetramethylcyclobutyl] 6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoate (PubChem CID 54509913) has the molecular formula C60H84O6 and a molecular weight of 901.33 g/mol. Its IUPAC name is [3-[6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoyloxy]-2,2,4,4-tetramethylcyclobutyl] 6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoate.

Molecular Properties

Compound Name[3-[6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoyloxy]-2,2,4,4-tetramethylcyclobutyl] 6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoate
PubChem CID54509913
Molecular FormulaC60H84O6
Molecular Weight901.33 g/mol
Exact Mass900.63
IUPAC Name[3-[6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoyloxy]-2,2,4,4-tetramethylcyclobutyl] 6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoate
SMILESCC(C)(C)c1cc(-c2ccccc2CCCCCC(=O)OC2C(C)(C)C(OC(=O)CCCCCc3ccccc3-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C60H84O6/c1-55(2,3)45-35-41(36-46(51(45)63)56(4,5)6)43-31-25-23-29-39(43)27-19-17-21-33-49(61)65-53-59(13,14)54(60(53,15)16)66-50(62)34-22-18-20-28-40-30-24-26-32-44(40)42-37-47(57(7,8)9)52(64)48(38-42)58(10,11)12/h23-26,29-32,35-38,53-54,63-64H,17-22,27-28,33-34H2,1-16H3
InChIKeyYIJPPMDJUZFLPR-UHFFFAOYSA-N
XLogP15.42
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.33
LogP ≤ 515.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoyloxy]-2,2,4,4-tetramethylcyclobutyl] 6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoate?
The IUPAC name of [3-[6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoyloxy]-2,2,4,4-tetramethylcyclobutyl] 6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoate (CID 54509913) is [3-[6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoyloxy]-2,2,4,4-tetramethylcyclobutyl] 6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoate.
What is the SMILES notation for [3-[6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoyloxy]-2,2,4,4-tetramethylcyclobutyl] 6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoate?
The canonical SMILES for [3-[6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoyloxy]-2,2,4,4-tetramethylcyclobutyl] 6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoate is CC(C)(C)c1cc(-c2ccccc2CCCCCC(=O)OC2C(C)(C)C(OC(=O)CCCCCc3ccccc3-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of [3-[6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoyloxy]-2,2,4,4-tetramethylcyclobutyl] 6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoate?
The InChIKey is YIJPPMDJUZFLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H84O6/c1-55(2,3)45-35-41(36-46(51(45)63)56(4,5)6)43-31-25-23-29-39(43)27-19-17-21-33-49(61)65-53-59(13,14)54(60(53,15)16)66-50(62)34-22-18-20-28-40-30-24-26-32-44(40)42-37-47(57(7,8)9)52(64)48(38-42)58(10,11)12/h23-26,29-32,35-38,53-54,63-64H,17-22,27-28,33-34H2,1-16H3.
What are the key properties of [3-[6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoyloxy]-2,2,4,4-tetramethylcyclobutyl] 6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoate?
[3-[6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoyloxy]-2,2,4,4-tetramethylcyclobutyl] 6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoate has a molecular weight of 901.33 g/mol, XLogP of 15.42, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoyloxy]-2,2,4,4-tetramethylcyclobutyl] 6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]hexanoate is sourced from PubChem (CID 54509913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).