2,2,37,37-tetraethyl-9,30,44,65-tetraoxapentadecacyclo[65.3.1.13,7.132,36.138,42.04,70.010,19.013,18.020,29.021,26.035,39.045,54.048,53.055,64.056,61]tetraheptaconta-1(70),3,5,7(74),10(19),11,13,15,17,20(29),21,23,25,27,32(73),33,35,38,40,42(72),45(54),46,48,50,52,55(64),56,58,60,62,67(71),68-dotriacontaene

C78H64O4 — CID 102273573

IUPAC2,2,37,37-tetraethyl-9,30,44,65-tetraoxapentadecacyclo[65.3.1.13,7.132,36.138,42.04,70.010,19.013,18.020,29.021,26.035,39.045,54.048,53.055,64.056,61]tetraheptaconta-1(70),3,5,7(74),10(19),11,13,15,17,20(29),21,23,25,27,32(73),33,35,38,40,42(72),45(54),46,48,50,52,55(64),56,58,60,62,67(71),68-dotriacontaene
SMILESCCC1(CC)c2cc3ccc2-c2ccc(cc21)COc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCc1ccc2c(c1)C(CC)(CC)c1cc(ccc1-2)COc1ccc2ccccc2c1-c1c(ccc2ccccc12)OC3
InChIInChI=1S/C78H64O4/c1-5-77(6-2)65-41-49-25-33-61(65)62-34-26-50(42-66(62)77)46-80-70-38-30-54-18-10-14-22-58(54)74(70)76-60-24-16-12-20-56(60)32-40-72(76)82-48-52-28-36-64-63-35-27-51(43-67(63)78(7-3,8-4)68(64)44-52)47-81-71-39-31-55-19-11-15-23-59(55)75(71)73-57-21-13-9-17-53(57)29-37-69(73)79-45-49/h9-44H,5-8,45-48H2,1-4H3
InChIKeyQYCAJOFIWYSTQU-UHFFFAOYSA-N
MW1065.37 g/mol
LogP20.44
Rot. Bonds4

About 2,2,37,37-tetraethyl-9,30,44,65-tetraoxapentadecacyclo[65.3.1.13,7.132,36.138,42.04,70.010,19.013,18.020,29.021,26.035,39.045,54.048,53.055,64.056,61]tetraheptaconta-1(70),3,5,7(74),10(19),11,13,15,17,20(29),21,23,25,27,32(73),33,35,38,40,42(72),45(54),46,48,50,52,55(64),56,58,60,62,67(71),68-dotriacontaene

2,2,37,37-tetraethyl-9,30,44,65-tetraoxapentadecacyclo[65.3.1.13,7.132,36.138,42.04,70.010,19.013,18.020,29.021,26.035,39.045,54.048,53.055,64.056,61]tetraheptaconta-1(70),3,5,7(74),10(19),11,13,15,17,20(29),21,23,25,27,32(73),33,35,38,40,42(72),45(54),46,48,50,52,55(64),56,58,60,62,67(71),68-dotriacontaene (PubChem CID 102273573) has the molecular formula C78H64O4 and a molecular weight of 1065.37 g/mol. Its IUPAC name is 2,2,37,37-tetraethyl-9,30,44,65-tetraoxapentadecacyclo[65.3.1.13,7.132,36.138,42.04,70.010,19.013,18.020,29.021,26.035,39.045,54.048,53.055,64.056,61]tetraheptaconta-1(70),3,5,7(74),10(19),11,13,15,17,20(29),21,23,25,27,32(73),33,35,38,40,42(72),45(54),46,48,50,52,55(64),56,58,60,62,67(71),68-dotriacontaene.

Molecular Properties

Compound Name2,2,37,37-tetraethyl-9,30,44,65-tetraoxapentadecacyclo[65.3.1.13,7.132,36.138,42.04,70.010,19.013,18.020,29.021,26.035,39.045,54.048,53.055,64.056,61]tetraheptaconta-1(70),3,5,7(74),10(19),11,13,15,17,20(29),21,23,25,27,32(73),33,35,38,40,42(72),45(54),46,48,50,52,55(64),56,58,60,62,67(71),68-dotriacontaene
PubChem CID102273573
Molecular FormulaC78H64O4
Molecular Weight1065.37 g/mol
Exact Mass1064.48
IUPAC Name2,2,37,37-tetraethyl-9,30,44,65-tetraoxapentadecacyclo[65.3.1.13,7.132,36.138,42.04,70.010,19.013,18.020,29.021,26.035,39.045,54.048,53.055,64.056,61]tetraheptaconta-1(70),3,5,7(74),10(19),11,13,15,17,20(29),21,23,25,27,32(73),33,35,38,40,42(72),45(54),46,48,50,52,55(64),56,58,60,62,67(71),68-dotriacontaene
SMILESCCC1(CC)c2cc3ccc2-c2ccc(cc21)COc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCc1ccc2c(c1)C(CC)(CC)c1cc(ccc1-2)COc1ccc2ccccc2c1-c1c(ccc2ccccc12)OC3
InChIInChI=1S/C78H64O4/c1-5-77(6-2)65-41-49-25-33-61(65)62-34-26-50(42-66(62)77)46-80-70-38-30-54-18-10-14-22-58(54)74(70)76-60-24-16-12-20-56(60)32-40-72(76)82-48-52-28-36-64-63-35-27-51(43-67(63)78(7-3,8-4)68(64)44-52)47-81-71-39-31-55-19-11-15-23-59(55)75(71)73-57-21-13-9-17-53(57)29-37-69(73)79-45-49/h9-44H,5-8,45-48H2,1-4H3
InChIKeyQYCAJOFIWYSTQU-UHFFFAOYSA-N
XLogP20.44
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001065.37
LogP ≤ 520.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2,37,37-tetraethyl-9,30,44,65-tetraoxapentadecacyclo[65.3.1.13,7.132,36.138,42.04,70.010,19.013,18.020,29.021,26.035,39.045,54.048,53.055,64.056,61]tetraheptaconta-1(70),3,5,7(74),10(19),11,13,15,17,20(29),21,23,25,27,32(73),33,35,38,40,42(72),45(54),46,48,50,52,55(64),56,58,60,62,67(71),68-dotriacontaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,2,37,37-tetraethyl-9,30,44,65-tetraoxapentadecacyclo[65.3.1.13,7.132,36.138,42.04,70.010,19.013,18.020,29.021,26.035,39.045,54.048,53.055,64.056,61]tetraheptaconta-1(70),3,5,7(74),10(19),11,13,15,17,20(29),21,23,25,27,32(73),33,35,38,40,42(72),45(54),46,48,50,52,55(64),56,58,60,62,67(71),68-dotriacontaene?
The IUPAC name of 2,2,37,37-tetraethyl-9,30,44,65-tetraoxapentadecacyclo[65.3.1.13,7.132,36.138,42.04,70.010,19.013,18.020,29.021,26.035,39.045,54.048,53.055,64.056,61]tetraheptaconta-1(70),3,5,7(74),10(19),11,13,15,17,20(29),21,23,25,27,32(73),33,35,38,40,42(72),45(54),46,48,50,52,55(64),56,58,60,62,67(71),68-dotriacontaene (CID 102273573) is 2,2,37,37-tetraethyl-9,30,44,65-tetraoxapentadecacyclo[65.3.1.13,7.132,36.138,42.04,70.010,19.013,18.020,29.021,26.035,39.045,54.048,53.055,64.056,61]tetraheptaconta-1(70),3,5,7(74),10(19),11,13,15,17,20(29),21,23,25,27,32(73),33,35,38,40,42(72),45(54),46,48,50,52,55(64),56,58,60,62,67(71),68-dotriacontaene.
What is the SMILES notation for 2,2,37,37-tetraethyl-9,30,44,65-tetraoxapentadecacyclo[65.3.1.13,7.132,36.138,42.04,70.010,19.013,18.020,29.021,26.035,39.045,54.048,53.055,64.056,61]tetraheptaconta-1(70),3,5,7(74),10(19),11,13,15,17,20(29),21,23,25,27,32(73),33,35,38,40,42(72),45(54),46,48,50,52,55(64),56,58,60,62,67(71),68-dotriacontaene?
The canonical SMILES for 2,2,37,37-tetraethyl-9,30,44,65-tetraoxapentadecacyclo[65.3.1.13,7.132,36.138,42.04,70.010,19.013,18.020,29.021,26.035,39.045,54.048,53.055,64.056,61]tetraheptaconta-1(70),3,5,7(74),10(19),11,13,15,17,20(29),21,23,25,27,32(73),33,35,38,40,42(72),45(54),46,48,50,52,55(64),56,58,60,62,67(71),68-dotriacontaene is CCC1(CC)c2cc3ccc2-c2ccc(cc21)COc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCc1ccc2c(c1)C(CC)(CC)c1cc(ccc1-2)COc1ccc2ccccc2c1-c1c(ccc2ccccc12)OC3.
What is the InChIKey of 2,2,37,37-tetraethyl-9,30,44,65-tetraoxapentadecacyclo[65.3.1.13,7.132,36.138,42.04,70.010,19.013,18.020,29.021,26.035,39.045,54.048,53.055,64.056,61]tetraheptaconta-1(70),3,5,7(74),10(19),11,13,15,17,20(29),21,23,25,27,32(73),33,35,38,40,42(72),45(54),46,48,50,52,55(64),56,58,60,62,67(71),68-dotriacontaene?
The InChIKey is QYCAJOFIWYSTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H64O4/c1-5-77(6-2)65-41-49-25-33-61(65)62-34-26-50(42-66(62)77)46-80-70-38-30-54-18-10-14-22-58(54)74(70)76-60-24-16-12-20-56(60)32-40-72(76)82-48-52-28-36-64-63-35-27-51(43-67(63)78(7-3,8-4)68(64)44-52)47-81-71-39-31-55-19-11-15-23-59(55)75(71)73-57-21-13-9-17-53(57)29-37-69(73)79-45-49/h9-44H,5-8,45-48H2,1-4H3.
What are the key properties of 2,2,37,37-tetraethyl-9,30,44,65-tetraoxapentadecacyclo[65.3.1.13,7.132,36.138,42.04,70.010,19.013,18.020,29.021,26.035,39.045,54.048,53.055,64.056,61]tetraheptaconta-1(70),3,5,7(74),10(19),11,13,15,17,20(29),21,23,25,27,32(73),33,35,38,40,42(72),45(54),46,48,50,52,55(64),56,58,60,62,67(71),68-dotriacontaene?
2,2,37,37-tetraethyl-9,30,44,65-tetraoxapentadecacyclo[65.3.1.13,7.132,36.138,42.04,70.010,19.013,18.020,29.021,26.035,39.045,54.048,53.055,64.056,61]tetraheptaconta-1(70),3,5,7(74),10(19),11,13,15,17,20(29),21,23,25,27,32(73),33,35,38,40,42(72),45(54),46,48,50,52,55(64),56,58,60,62,67(71),68-dotriacontaene has a molecular weight of 1065.37 g/mol, XLogP of 20.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,37,37-tetraethyl-9,30,44,65-tetraoxapentadecacyclo[65.3.1.13,7.132,36.138,42.04,70.010,19.013,18.020,29.021,26.035,39.045,54.048,53.055,64.056,61]tetraheptaconta-1(70),3,5,7(74),10(19),11,13,15,17,20(29),21,23,25,27,32(73),33,35,38,40,42(72),45(54),46,48,50,52,55(64),56,58,60,62,67(71),68-dotriacontaene is sourced from PubChem (CID 102273573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).