6,15,24-tritert-butyl-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene

C36H36O3 — CID 163848105

IUPAC6,15,24-tritert-butyl-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
SMILESCC(C)(C)c1ccc2c(c1)oc1c2c2oc3cc(C(C)(C)C)ccc3c2c2oc3cc(C(C)(C)C)ccc3c12
InChIInChI=1S/C36H36O3/c1-34(2,3)19-10-13-22-25(16-19)37-31-28(22)32-30(24-15-12-21(36(7,8)9)18-27(24)38-32)33-29(31)23-14-11-20(35(4,5)6)17-26(23)39-33/h10-18H,1-9H3
InChIKeyORYMMQJAQIBLNG-UHFFFAOYSA-N
MW516.68 g/mol
LogP11.28
Rot. Bonds

About 6,15,24-tritert-butyl-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene

6,15,24-tritert-butyl-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene (PubChem CID 163848105) has the molecular formula C36H36O3 and a molecular weight of 516.68 g/mol. Its IUPAC name is 6,15,24-tritert-butyl-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene.

Molecular Properties

Compound Name6,15,24-tritert-butyl-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
PubChem CID163848105
Molecular FormulaC36H36O3
Molecular Weight516.68 g/mol
Exact Mass516.27
IUPAC Name6,15,24-tritert-butyl-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
SMILESCC(C)(C)c1ccc2c(c1)oc1c2c2oc3cc(C(C)(C)C)ccc3c2c2oc3cc(C(C)(C)C)ccc3c12
InChIInChI=1S/C36H36O3/c1-34(2,3)19-10-13-22-25(16-19)37-31-28(22)32-30(24-15-12-21(36(7,8)9)18-27(24)38-32)33-29(31)23-14-11-20(35(4,5)6)17-26(23)39-33/h10-18H,1-9H3
InChIKeyORYMMQJAQIBLNG-UHFFFAOYSA-N
XLogP11.28
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.68
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,15,24-tritert-butyl-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene with MolForge

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Related Compounds

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2,8-ditert-butyldibenzofuran
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5,13,21,29-tetratert-butyl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10(15),11,13,17,19(24),20,22,26(31),27,29-pentadecaene
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CID 146176297
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CID 122227213
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2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine
CID 165169386
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Frequently Asked Questions

What is the IUPAC name of 6,15,24-tritert-butyl-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene?
The IUPAC name of 6,15,24-tritert-butyl-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene (CID 163848105) is 6,15,24-tritert-butyl-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene.
What is the SMILES notation for 6,15,24-tritert-butyl-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene?
The canonical SMILES for 6,15,24-tritert-butyl-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene is CC(C)(C)c1ccc2c(c1)oc1c2c2oc3cc(C(C)(C)C)ccc3c2c2oc3cc(C(C)(C)C)ccc3c12.
What is the InChIKey of 6,15,24-tritert-butyl-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene?
The InChIKey is ORYMMQJAQIBLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36O3/c1-34(2,3)19-10-13-22-25(16-19)37-31-28(22)32-30(24-15-12-21(36(7,8)9)18-27(24)38-32)33-29(31)23-14-11-20(35(4,5)6)17-26(23)39-33/h10-18H,1-9H3.
What are the key properties of 6,15,24-tritert-butyl-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene?
6,15,24-tritert-butyl-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene has a molecular weight of 516.68 g/mol, XLogP of 11.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,15,24-tritert-butyl-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene is sourced from PubChem (CID 163848105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).