2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35-hexatert-butyl-38,39,40,41,42-pentakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C138H228O42 — CID 10964384

IUPAC2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35-hexatert-butyl-38,39,40,41,42-pentakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCC(C)(C)c1cc2c(OCCOCCOCCOCCOCCOCCO)c(c1)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOCCOCCOCCO)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOCCOCCOCCO)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOCCOCCOCCO)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOCCOCCOCCO)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOCCOCCOCCO)C2
InChIInChI=1S/C138H228O42/c1-133(2,3)121-97-109-91-111-99-122(134(4,5)6)101-113(128(111)176-86-80-170-74-68-164-62-56-158-50-44-152-38-32-146-26-20-140)93-115-103-124(136(10,11)12)105-117(130(115)178-88-82-172-76-70-166-64-58-160-52-46-154-40-34-148-28-22-142)95-119-107-126(138(16,17)18)108-120(132(119)180-90-84-174-78-72-168-66-60-162-54-48-156-42-36-150-30-24-144)96-118-106-125(137(13,14)15)104-116(131(118)179-89-83-173-77-71-167-65-59-161-53-47-155-41-35-149-29-23-143)94-114-102-123(135(7,8)9)100-112(129(114)177-87-81-171-75-69-165-63-57-159-51-45-153-39-33-147-27-21-141)92-110(98-121)127(109)175-85-79-169-73-67-163-61-55-157-49-43-151-37-31-145-25-19-139/h97-108,139-144H,19-96H2,1-18H3
InChIKeyFGHQSPYJSAHUSX-UHFFFAOYSA-N
MW2559.30 g/mol
LogP14.05
Rot. Bonds108

About 2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35-hexatert-butyl-38,39,40,41,42-pentakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35-hexatert-butyl-38,39,40,41,42-pentakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 10964384) has the molecular formula C138H228O42 and a molecular weight of 2559.30 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35-hexatert-butyl-38,39,40,41,42-pentakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35-hexatert-butyl-38,39,40,41,42-pentakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID10964384
Molecular FormulaC138H228O42
Molecular Weight2559.30 g/mol
Exact Mass2557.57
IUPAC Name2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35-hexatert-butyl-38,39,40,41,42-pentakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCC(C)(C)c1cc2c(OCCOCCOCCOCCOCCOCCO)c(c1)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOCCOCCOCCO)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOCCOCCOCCO)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOCCOCCOCCO)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOCCOCCOCCO)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOCCOCCOCCO)C2
InChIInChI=1S/C138H228O42/c1-133(2,3)121-97-109-91-111-99-122(134(4,5)6)101-113(128(111)176-86-80-170-74-68-164-62-56-158-50-44-152-38-32-146-26-20-140)93-115-103-124(136(10,11)12)105-117(130(115)178-88-82-172-76-70-166-64-58-160-52-46-154-40-34-148-28-22-142)95-119-107-126(138(16,17)18)108-120(132(119)180-90-84-174-78-72-168-66-60-162-54-48-156-42-36-150-30-24-144)96-118-106-125(137(13,14)15)104-116(131(118)179-89-83-173-77-71-167-65-59-161-53-47-155-41-35-149-29-23-143)94-114-102-123(135(7,8)9)100-112(129(114)177-87-81-171-75-69-165-63-57-159-51-45-153-39-33-147-27-21-141)92-110(98-121)127(109)175-85-79-169-73-67-163-61-55-157-49-43-151-37-31-145-25-19-139/h97-108,139-144H,19-96H2,1-18H3
InChIKeyFGHQSPYJSAHUSX-UHFFFAOYSA-N
XLogP14.05
TPSA453.66 Ų
H-Bond Donors6
H-Bond Acceptors42
Rotatable Bonds108
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002559.30
LogP ≤ 514.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35-hexatert-butyl-38,39,40,41,42-pentakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35-hexatert-butyl-38,39,40,41,42-pentakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35-hexatert-butyl-38,39,40,41,42-pentakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 10964384) is 2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35-hexatert-butyl-38,39,40,41,42-pentakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35-hexatert-butyl-38,39,40,41,42-pentakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35-hexatert-butyl-38,39,40,41,42-pentakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is CC(C)(C)c1cc2c(OCCOCCOCCOCCOCCOCCO)c(c1)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOCCOCCOCCO)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOCCOCCOCCO)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOCCOCCOCCO)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOCCOCCOCCO)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOCCOCCOCCO)C2.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35-hexatert-butyl-38,39,40,41,42-pentakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is FGHQSPYJSAHUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C138H228O42/c1-133(2,3)121-97-109-91-111-99-122(134(4,5)6)101-113(128(111)176-86-80-170-74-68-164-62-56-158-50-44-152-38-32-146-26-20-140)93-115-103-124(136(10,11)12)105-117(130(115)178-88-82-172-76-70-166-64-58-160-52-46-154-40-34-148-28-22-142)95-119-107-126(138(16,17)18)108-120(132(119)180-90-84-174-78-72-168-66-60-162-54-48-156-42-36-150-30-24-144)96-118-106-125(137(13,14)15)104-116(131(118)179-89-83-173-77-71-167-65-59-161-53-47-155-41-35-149-29-23-143)94-114-102-123(135(7,8)9)100-112(129(114)177-87-81-171-75-69-165-63-57-159-51-45-153-39-33-147-27-21-141)92-110(98-121)127(109)175-85-79-169-73-67-163-61-55-157-49-43-151-37-31-145-25-19-139/h97-108,139-144H,19-96H2,1-18H3.
What are the key properties of 2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35-hexatert-butyl-38,39,40,41,42-pentakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35-hexatert-butyl-38,39,40,41,42-pentakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 2559.30 g/mol, XLogP of 14.05, 108 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35-hexatert-butyl-38,39,40,41,42-pentakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 10964384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).