5,11,17,23-tetratert-butyl-26,28-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,3,3-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]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-dodecaene-25,27-diol

C112H176O24 — CID 101447894

IUPAC5,11,17,23-tetratert-butyl-26,28-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,3,3-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]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-dodecaene-25,27-diol
SMILESCCC(C)(C)C(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc2c3cc(C(C)(C)C)cc2Cc2cc(C(C)(C)C)cc(c2O)Cc2cc(C(C)(C)C)cc(c2OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(C(C)(C)C(C)(C)CC)cc2)Cc2cc(C(C)(C)C)cc(c2O)C3)cc1
InChIInChI=1S/C112H176O24/c1-23-109(15,16)111(19,20)93-25-29-99(30-26-93)133-69-65-129-61-57-125-53-49-121-45-41-117-37-33-115-35-39-119-43-47-123-51-55-127-59-63-131-67-71-135-103-89-73-85-77-95(105(3,4)5)79-87(101(85)113)75-91-83-98(108(12,13)14)84-92(76-88-80-96(106(6,7)8)78-86(102(88)114)74-90(103)82-97(81-89)107(9,10)11)104(91)136-72-68-132-64-60-128-56-52-124-48-44-120-40-36-116-34-38-118-42-46-122-50-54-126-58-62-130-66-70-134-100-31-27-94(28-32-100)112(21,22)110(17,18)24-2/h25-32,77-84,113-114H,23-24,33-76H2,1-22H3
InChIKeyMSBHFHXFWRGDIO-UHFFFAOYSA-N
MW1906.62 g/mol
LogP19.61
Rot. Bonds70

About 5,11,17,23-tetratert-butyl-26,28-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,3,3-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]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-dodecaene-25,27-diol

5,11,17,23-tetratert-butyl-26,28-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,3,3-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]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-dodecaene-25,27-diol (PubChem CID 101447894) has the molecular formula C112H176O24 and a molecular weight of 1906.62 g/mol. Its IUPAC name is 5,11,17,23-tetratert-butyl-26,28-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,3,3-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]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-dodecaene-25,27-diol.

Molecular Properties

Compound Name5,11,17,23-tetratert-butyl-26,28-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,3,3-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]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-dodecaene-25,27-diol
PubChem CID101447894
Molecular FormulaC112H176O24
Molecular Weight1906.62 g/mol
Exact Mass1905.26
IUPAC Name5,11,17,23-tetratert-butyl-26,28-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,3,3-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]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-dodecaene-25,27-diol
SMILESCCC(C)(C)C(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc2c3cc(C(C)(C)C)cc2Cc2cc(C(C)(C)C)cc(c2O)Cc2cc(C(C)(C)C)cc(c2OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(C(C)(C)C(C)(C)CC)cc2)Cc2cc(C(C)(C)C)cc(c2O)C3)cc1
InChIInChI=1S/C112H176O24/c1-23-109(15,16)111(19,20)93-25-29-99(30-26-93)133-69-65-129-61-57-125-53-49-121-45-41-117-37-33-115-35-39-119-43-47-123-51-55-127-59-63-131-67-71-135-103-89-73-85-77-95(105(3,4)5)79-87(101(85)113)75-91-83-98(108(12,13)14)84-92(76-88-80-96(106(6,7)8)78-86(102(88)114)74-90(103)82-97(81-89)107(9,10)11)104(91)136-72-68-132-64-60-128-56-52-124-48-44-120-40-36-116-34-38-118-42-46-122-50-54-126-58-62-130-66-70-134-100-31-27-94(28-32-100)112(21,22)110(17,18)24-2/h25-32,77-84,113-114H,23-24,33-76H2,1-22H3
InChIKeyMSBHFHXFWRGDIO-UHFFFAOYSA-N
XLogP19.61
TPSA243.52 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds70
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001906.62
LogP ≤ 519.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 5,11,17,23-tetratert-butyl-26,28-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,3,3-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]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-dodecaene-25,27-diol with MolForge

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Related Compounds

5,11,17,23-tetratert-butyl-28-(2-ethoxyethoxy)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-dodecaene-25,26,27-triol
CID 102046932
26,28-bis[2-(2-aminoethoxy)ethoxy]-5,11,17,23-tetratert-butylpentacyclo[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-dodecaene-25,27-diol
CID 85470956
5,11,17,23-tetratert-butyl-26,28-bis(3-hydroxypropoxy)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-dodecaene-25,27-diol
CID 57393034
5,11,17,23,29,35-hexatert-butyl-37,38,39,40,41,42-hexakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]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-octadecaene
CID 11115957
5,11,17-tritert-butyl-23-propoxypentacyclo[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-dodecaene-25,26,27,28-tetrol
CID 102278918
17,23-diamino-5,11-ditert-butyl-27,28-dipropoxypentacyclo[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-dodecaene-25,26-diol
CID 121199159
5,11,17,23-tetratert-butyl-26,28-bis[2-(diethylamino)ethoxy]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-dodecaene-25,27-diol
CID 101015799
23-tert-butyl-26,28-dihydroxy-25,27-dipropoxypentacyclo[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-dodecaene-5,11,17-tricarbaldehyde
CID 102573865
26,28-dibutoxy-5,17-ditert-butyl-11,23-dinitropentacyclo[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-dodecaene-25,27-diol
CID 10556943
5,11,17,23,29,35-hexatert-butyl-37,38,39,40,41,42-hexakis(2-methoxyethoxy)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-octadecaene
CID 13496654
5,11,17,23-tetratert-butyl-27,28-bis(phenylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,26-diol
CID 11388780
N-[2-[[27-(2-acetamidoethoxy)-5,11,17,23-tetratert-butyl-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]ethyl]acetamide
CID 101153513

Frequently Asked Questions

What is the IUPAC name of 5,11,17,23-tetratert-butyl-26,28-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,3,3-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]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-dodecaene-25,27-diol?
The IUPAC name of 5,11,17,23-tetratert-butyl-26,28-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,3,3-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]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-dodecaene-25,27-diol (CID 101447894) is 5,11,17,23-tetratert-butyl-26,28-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,3,3-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]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-dodecaene-25,27-diol.
What is the SMILES notation for 5,11,17,23-tetratert-butyl-26,28-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,3,3-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]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-dodecaene-25,27-diol?
The canonical SMILES for 5,11,17,23-tetratert-butyl-26,28-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,3,3-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]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-dodecaene-25,27-diol is CCC(C)(C)C(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc2c3cc(C(C)(C)C)cc2Cc2cc(C(C)(C)C)cc(c2O)Cc2cc(C(C)(C)C)cc(c2OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(C(C)(C)C(C)(C)CC)cc2)Cc2cc(C(C)(C)C)cc(c2O)C3)cc1.
What is the InChIKey of 5,11,17,23-tetratert-butyl-26,28-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,3,3-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]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-dodecaene-25,27-diol?
The InChIKey is MSBHFHXFWRGDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H176O24/c1-23-109(15,16)111(19,20)93-25-29-99(30-26-93)133-69-65-129-61-57-125-53-49-121-45-41-117-37-33-115-35-39-119-43-47-123-51-55-127-59-63-131-67-71-135-103-89-73-85-77-95(105(3,4)5)79-87(101(85)113)75-91-83-98(108(12,13)14)84-92(76-88-80-96(106(6,7)8)78-86(102(88)114)74-90(103)82-97(81-89)107(9,10)11)104(91)136-72-68-132-64-60-128-56-52-124-48-44-120-40-36-116-34-38-118-42-46-122-50-54-126-58-62-130-66-70-134-100-31-27-94(28-32-100)112(21,22)110(17,18)24-2/h25-32,77-84,113-114H,23-24,33-76H2,1-22H3.
What are the key properties of 5,11,17,23-tetratert-butyl-26,28-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,3,3-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]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-dodecaene-25,27-diol?
5,11,17,23-tetratert-butyl-26,28-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,3,3-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]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-dodecaene-25,27-diol has a molecular weight of 1906.62 g/mol, XLogP of 19.61, 70 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,17,23-tetratert-butyl-26,28-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,3,3-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]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-dodecaene-25,27-diol is sourced from PubChem (CID 101447894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).