2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35,41,47-octatert-butyl-50,51,52,53,54,55,56-heptakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-49-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C184H304O56 — CID 10866247

IUPAC2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35,41,47-octatert-butyl-50,51,52,53,54,55,56-heptakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-49-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaenyl]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)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOCCOCCOCCO)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOCCOCCOCCO)C2
InChIInChI=1S/C184H304O56/c1-177(2,3)161-129-145-121-147-131-162(178(4,5)6)133-149(170(147)234-114-106-226-98-90-218-82-74-210-66-58-202-50-42-194-34-26-186)123-151-135-164(180(10,11)12)137-153(172(151)236-116-108-228-100-92-220-84-76-212-68-60-204-52-44-196-36-28-188)125-155-139-166(182(16,17)18)141-157(174(155)238-118-110-230-102-94-222-86-78-214-70-62-206-54-46-198-38-30-190)127-159-143-168(184(22,23)24)144-160(176(159)240-120-112-232-104-96-224-88-80-216-72-64-208-56-48-200-40-32-192)128-158-142-167(183(19,20)21)140-156(175(158)239-119-111-231-103-95-223-87-79-215-71-63-207-55-47-199-39-31-191)126-154-138-165(181(13,14)15)136-152(173(154)237-117-109-229-101-93-221-85-77-213-69-61-205-53-45-197-37-29-189)124-150-134-163(179(7,8)9)132-148(171(150)235-115-107-227-99-91-219-83-75-211-67-59-203-51-43-195-35-27-187)122-146(130-161)169(145)233-113-105-225-97-89-217-81-73-209-65-57-201-49-41-193-33-25-185/h129-144,185-192H,25-128H2,1-24H3
InChIKeySWOZMMLRAWEPIH-UHFFFAOYSA-N
MW3412.40 g/mol
LogP18.74
Rot. Bonds144

About 2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35,41,47-octatert-butyl-50,51,52,53,54,55,56-heptakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-49-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35,41,47-octatert-butyl-50,51,52,53,54,55,56-heptakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-49-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 10866247) has the molecular formula C184H304O56 and a molecular weight of 3412.40 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35,41,47-octatert-butyl-50,51,52,53,54,55,56-heptakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-49-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35,41,47-octatert-butyl-50,51,52,53,54,55,56-heptakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-49-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID10866247
Molecular FormulaC184H304O56
Molecular Weight3412.40 g/mol
Exact Mass3410.09
IUPAC Name2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35,41,47-octatert-butyl-50,51,52,53,54,55,56-heptakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-49-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaenyl]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)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOCCOCCOCCO)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOCCOCCOCCO)C2
InChIInChI=1S/C184H304O56/c1-177(2,3)161-129-145-121-147-131-162(178(4,5)6)133-149(170(147)234-114-106-226-98-90-218-82-74-210-66-58-202-50-42-194-34-26-186)123-151-135-164(180(10,11)12)137-153(172(151)236-116-108-228-100-92-220-84-76-212-68-60-204-52-44-196-36-28-188)125-155-139-166(182(16,17)18)141-157(174(155)238-118-110-230-102-94-222-86-78-214-70-62-206-54-46-198-38-30-190)127-159-143-168(184(22,23)24)144-160(176(159)240-120-112-232-104-96-224-88-80-216-72-64-208-56-48-200-40-32-192)128-158-142-167(183(19,20)21)140-156(175(158)239-119-111-231-103-95-223-87-79-215-71-63-207-55-47-199-39-31-191)126-154-138-165(181(13,14)15)136-152(173(154)237-117-109-229-101-93-221-85-77-213-69-61-205-53-45-197-37-29-189)124-150-134-163(179(7,8)9)132-148(171(150)235-115-107-227-99-91-219-83-75-211-67-59-203-51-43-195-35-27-187)122-146(130-161)169(145)233-113-105-225-97-89-217-81-73-209-65-57-201-49-41-193-33-25-185/h129-144,185-192H,25-128H2,1-24H3
InChIKeySWOZMMLRAWEPIH-UHFFFAOYSA-N
XLogP18.74
TPSA604.88 Ų
H-Bond Donors8
H-Bond Acceptors56
Rotatable Bonds144
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003412.40
LogP ≤ 518.74
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35,41,47-octatert-butyl-50,51,52,53,54,55,56-heptakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-49-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaenyl]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-[[5,11,17,23,29,35,41,47-octatert-butyl-50,51,52,53,54,55,56-heptakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-49-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35,41,47-octatert-butyl-50,51,52,53,54,55,56-heptakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-49-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 10866247) is 2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35,41,47-octatert-butyl-50,51,52,53,54,55,56-heptakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-49-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35,41,47-octatert-butyl-50,51,52,53,54,55,56-heptakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-49-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35,41,47-octatert-butyl-50,51,52,53,54,55,56-heptakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-49-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaenyl]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)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-[[5,11,17,23,29,35,41,47-octatert-butyl-50,51,52,53,54,55,56-heptakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-49-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is SWOZMMLRAWEPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C184H304O56/c1-177(2,3)161-129-145-121-147-131-162(178(4,5)6)133-149(170(147)234-114-106-226-98-90-218-82-74-210-66-58-202-50-42-194-34-26-186)123-151-135-164(180(10,11)12)137-153(172(151)236-116-108-228-100-92-220-84-76-212-68-60-204-52-44-196-36-28-188)125-155-139-166(182(16,17)18)141-157(174(155)238-118-110-230-102-94-222-86-78-214-70-62-206-54-46-198-38-30-190)127-159-143-168(184(22,23)24)144-160(176(159)240-120-112-232-104-96-224-88-80-216-72-64-208-56-48-200-40-32-192)128-158-142-167(183(19,20)21)140-156(175(158)239-119-111-231-103-95-223-87-79-215-71-63-207-55-47-199-39-31-191)126-154-138-165(181(13,14)15)136-152(173(154)237-117-109-229-101-93-221-85-77-213-69-61-205-53-45-197-37-29-189)124-150-134-163(179(7,8)9)132-148(171(150)235-115-107-227-99-91-219-83-75-211-67-59-203-51-43-195-35-27-187)122-146(130-161)169(145)233-113-105-225-97-89-217-81-73-209-65-57-201-49-41-193-33-25-185/h129-144,185-192H,25-128H2,1-24H3.
What are the key properties of 2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35,41,47-octatert-butyl-50,51,52,53,54,55,56-heptakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-49-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35,41,47-octatert-butyl-50,51,52,53,54,55,56-heptakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-49-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 3412.40 g/mol, XLogP of 18.74, 144 rotatable bonds, 8 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[[5,11,17,23,29,35,41,47-octatert-butyl-50,51,52,53,54,55,56-heptakis[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-49-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaenyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 10866247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).