5,13,19,27-tetratert-butyl-29,30,31,32-tetramethoxypentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(28),3,5,7(32),11(31),12,14,17,19,21(30),25(29),26-dodecaene

C52H72O4 — CID 10676603

IUPAC5,13,19,27-tetratert-butyl-29,30,31,32-tetramethoxypentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(28),3,5,7(32),11(31),12,14,17,19,21(30),25(29),26-dodecaene
SMILESCOc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OC)CCCc1cc(C(C)(C)C)cc(c1OC)Cc1cc(C(C)(C)C)cc(c1OC)CCC2
InChIInChI=1S/C52H72O4/c1-49(2,3)41-25-33-19-17-20-34-26-43(51(7,8)9)31-39(47(34)55-15)24-40-32-44(52(10,11)12)28-36(48(40)56-16)22-18-21-35-27-42(50(4,5)6)30-38(46(35)54-14)23-37(29-41)45(33)53-13/h25-32H,17-24H2,1-16H3
InChIKeyXDSWBXTUSSNBLP-UHFFFAOYSA-N
MW761.14 g/mol
LogP12.76
Rot. Bonds4

About 5,13,19,27-tetratert-butyl-29,30,31,32-tetramethoxypentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(28),3,5,7(32),11(31),12,14,17,19,21(30),25(29),26-dodecaene

5,13,19,27-tetratert-butyl-29,30,31,32-tetramethoxypentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(28),3,5,7(32),11(31),12,14,17,19,21(30),25(29),26-dodecaene (PubChem CID 10676603) has the molecular formula C52H72O4 and a molecular weight of 761.14 g/mol. Its IUPAC name is 5,13,19,27-tetratert-butyl-29,30,31,32-tetramethoxypentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(28),3,5,7(32),11(31),12,14,17,19,21(30),25(29),26-dodecaene.

Molecular Properties

Compound Name5,13,19,27-tetratert-butyl-29,30,31,32-tetramethoxypentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(28),3,5,7(32),11(31),12,14,17,19,21(30),25(29),26-dodecaene
PubChem CID10676603
Molecular FormulaC52H72O4
Molecular Weight761.14 g/mol
Exact Mass760.54
IUPAC Name5,13,19,27-tetratert-butyl-29,30,31,32-tetramethoxypentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(28),3,5,7(32),11(31),12,14,17,19,21(30),25(29),26-dodecaene
SMILESCOc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OC)CCCc1cc(C(C)(C)C)cc(c1OC)Cc1cc(C(C)(C)C)cc(c1OC)CCC2
InChIInChI=1S/C52H72O4/c1-49(2,3)41-25-33-19-17-20-34-26-43(51(7,8)9)31-39(47(34)55-15)24-40-32-44(52(10,11)12)28-36(48(40)56-16)22-18-21-35-27-42(50(4,5)6)30-38(46(35)54-14)23-37(29-41)45(33)53-13/h25-32H,17-24H2,1-16H3
InChIKeyXDSWBXTUSSNBLP-UHFFFAOYSA-N
XLogP12.76
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.14
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,13,19,27-tetratert-butyl-29,30,31,32-tetramethoxypentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(28),3,5,7(32),11(31),12,14,17,19,21(30),25(29),26-dodecaene with MolForge

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Related Compounds

6,13,21-tritert-butyl-23,24,25-trimethoxytetracyclo[17.3.1.14,8.111,15]pentacosa-1(22),4,6,8(25),11,13,15(24),19(23),20-nonaene
CID 15320227
5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxyhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene
CID 14932368
5,11,17,23,29,35,41,47-octatert-butyl-53,54,55,56-tetramethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3(56),4,6,9(55),10,12,15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39(50),40,42,45(49),46-tetracosaene-49,50,51,52-tetrol
CID 10102968
5,11,17,23,29,35,41,47-octatert-butyl-50,52,53,54,55,56-hexamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3(56),4,6,9(55),10,12,15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39(50),40,42,45(49),46-tetracosaene-49,51-diol
CID 10748996
5,11,17,23-tetratert-butyl-29-methoxy-1-methyl-1-silaheptacyclo[13.11.1.13,25.19,13.02,7.019,27.021,26]nonacosa-2(7),3,5,9,11,13(29),15(27),16,18,21(26),22,24-dodecaene
CID 101076218
(2Z)-6,21-ditert-butyl-23,24-dimethoxy-2,3-dimethyltricyclo[17.3.1.14,8]tetracosa-1(22),2,4,6,8(24),19(23),20-heptaene
CID 102572261
ethoxyethane;molybdenum;tetrakis(oxygen(2-));bis(5,11,17,23-tetratert-butyl-26,28-dimethoxypentacyclo[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-diolate)
CID 139134007
5,11,17,23-tetratert-butyl-31,32,33,34,35-pentamethoxy-29-nitrohexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene
CID 134853265
(23Z)-3,9,15,33-tetratert-butyl-37,38-dimethoxy-19,28-dioxahexacyclo[15.12.7.17,11.131,35.05,29.013,18]octatriaconta-1,3,5(29),7,9,11(38),13(18),14,16,23,31,33,35(37)-tridecaene
CID 11967177
6-tert-butyl-18,19-dimethoxy-16-nitrotricyclo[12.3.1.14,8]nonadeca-1(17),4,6,8(19),14(18),15-hexaene
CID 100928614
7-tert-butyl-15,17,18-trimethoxytricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaene-3,11-dione
CID 15249086
(2S,3R)-2,3-dibromo-6,21-ditert-butyl-23,24-dimethoxytricyclo[17.3.1.14,8]tetracosa-1(22),4,6,8(24),19(23),20-hexaene
CID 11193080

Frequently Asked Questions

What is the IUPAC name of 5,13,19,27-tetratert-butyl-29,30,31,32-tetramethoxypentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(28),3,5,7(32),11(31),12,14,17,19,21(30),25(29),26-dodecaene?
The IUPAC name of 5,13,19,27-tetratert-butyl-29,30,31,32-tetramethoxypentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(28),3,5,7(32),11(31),12,14,17,19,21(30),25(29),26-dodecaene (CID 10676603) is 5,13,19,27-tetratert-butyl-29,30,31,32-tetramethoxypentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(28),3,5,7(32),11(31),12,14,17,19,21(30),25(29),26-dodecaene.
What is the SMILES notation for 5,13,19,27-tetratert-butyl-29,30,31,32-tetramethoxypentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(28),3,5,7(32),11(31),12,14,17,19,21(30),25(29),26-dodecaene?
The canonical SMILES for 5,13,19,27-tetratert-butyl-29,30,31,32-tetramethoxypentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(28),3,5,7(32),11(31),12,14,17,19,21(30),25(29),26-dodecaene is COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OC)CCCc1cc(C(C)(C)C)cc(c1OC)Cc1cc(C(C)(C)C)cc(c1OC)CCC2.
What is the InChIKey of 5,13,19,27-tetratert-butyl-29,30,31,32-tetramethoxypentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(28),3,5,7(32),11(31),12,14,17,19,21(30),25(29),26-dodecaene?
The InChIKey is XDSWBXTUSSNBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H72O4/c1-49(2,3)41-25-33-19-17-20-34-26-43(51(7,8)9)31-39(47(34)55-15)24-40-32-44(52(10,11)12)28-36(48(40)56-16)22-18-21-35-27-42(50(4,5)6)30-38(46(35)54-14)23-37(29-41)45(33)53-13/h25-32H,17-24H2,1-16H3.
What are the key properties of 5,13,19,27-tetratert-butyl-29,30,31,32-tetramethoxypentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(28),3,5,7(32),11(31),12,14,17,19,21(30),25(29),26-dodecaene?
5,13,19,27-tetratert-butyl-29,30,31,32-tetramethoxypentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(28),3,5,7(32),11(31),12,14,17,19,21(30),25(29),26-dodecaene has a molecular weight of 761.14 g/mol, XLogP of 12.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,13,19,27-tetratert-butyl-29,30,31,32-tetramethoxypentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(28),3,5,7(32),11(31),12,14,17,19,21(30),25(29),26-dodecaene is sourced from PubChem (CID 10676603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).