22,28,34,39-tetratert-butyl-43,44-di(propan-2-yloxy)-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1,19,21,23,26(44),27,29,32,34,37,39,41(43)-dodecaene

C60H86O8 — CID 102005391

IUPAC22,28,34,39-tetratert-butyl-43,44-di(propan-2-yloxy)-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1,19,21,23,26(44),27,29,32,34,37,39,41(43)-dodecaene
SMILESCC(C)Oc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc3c1OCCOCCOCCOCCOCCOc1c(cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OC(C)C)C3)C2
InChIInChI=1S/C60H86O8/c1-39(2)67-55-45-27-41-31-49(57(5,6)7)33-43-29-47-37-52(60(14,15)16)38-48(56(47)68-40(3)4)30-44-34-50(58(8,9)10)32-42(28-46(55)36-51(35-45)59(11,12)13)54(44)66-26-24-64-22-20-62-18-17-61-19-21-63-23-25-65-53(41)43/h31-40H,17-30H2,1-16H3
InChIKeyBDDRDQCYZXEESJ-UHFFFAOYSA-N
MW935.34 g/mol
LogP12.97
Rot. Bonds4

About 22,28,34,39-tetratert-butyl-43,44-di(propan-2-yloxy)-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1,19,21,23,26(44),27,29,32,34,37,39,41(43)-dodecaene

22,28,34,39-tetratert-butyl-43,44-di(propan-2-yloxy)-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1,19,21,23,26(44),27,29,32,34,37,39,41(43)-dodecaene (PubChem CID 102005391) has the molecular formula C60H86O8 and a molecular weight of 935.34 g/mol. Its IUPAC name is 22,28,34,39-tetratert-butyl-43,44-di(propan-2-yloxy)-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1,19,21,23,26(44),27,29,32,34,37,39,41(43)-dodecaene.

Molecular Properties

Compound Name22,28,34,39-tetratert-butyl-43,44-di(propan-2-yloxy)-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1,19,21,23,26(44),27,29,32,34,37,39,41(43)-dodecaene
PubChem CID102005391
Molecular FormulaC60H86O8
Molecular Weight935.34 g/mol
Exact Mass934.63
IUPAC Name22,28,34,39-tetratert-butyl-43,44-di(propan-2-yloxy)-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1,19,21,23,26(44),27,29,32,34,37,39,41(43)-dodecaene
SMILESCC(C)Oc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc3c1OCCOCCOCCOCCOCCOc1c(cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OC(C)C)C3)C2
InChIInChI=1S/C60H86O8/c1-39(2)67-55-45-27-41-31-49(57(5,6)7)33-43-29-47-37-52(60(14,15)16)38-48(56(47)68-40(3)4)30-44-34-50(58(8,9)10)32-42(28-46(55)36-51(35-45)59(11,12)13)54(44)66-26-24-64-22-20-62-18-17-61-19-21-63-23-25-65-53(41)43/h31-40H,17-30H2,1-16H3
InChIKeyBDDRDQCYZXEESJ-UHFFFAOYSA-N
XLogP12.97
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.34
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 22,28,34,39-tetratert-butyl-43,44-di(propan-2-yloxy)-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1,19,21,23,26(44),27,29,32,34,37,39,41(43)-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 22,28,34,39-tetratert-butyl-43,44-di(propan-2-yloxy)-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1,19,21,23,26(44),27,29,32,34,37,39,41(43)-dodecaene?
The IUPAC name of 22,28,34,39-tetratert-butyl-43,44-di(propan-2-yloxy)-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1,19,21,23,26(44),27,29,32,34,37,39,41(43)-dodecaene (CID 102005391) is 22,28,34,39-tetratert-butyl-43,44-di(propan-2-yloxy)-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1,19,21,23,26(44),27,29,32,34,37,39,41(43)-dodecaene.
What is the SMILES notation for 22,28,34,39-tetratert-butyl-43,44-di(propan-2-yloxy)-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1,19,21,23,26(44),27,29,32,34,37,39,41(43)-dodecaene?
The canonical SMILES for 22,28,34,39-tetratert-butyl-43,44-di(propan-2-yloxy)-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1,19,21,23,26(44),27,29,32,34,37,39,41(43)-dodecaene is CC(C)Oc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc3c1OCCOCCOCCOCCOCCOc1c(cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OC(C)C)C3)C2.
What is the InChIKey of 22,28,34,39-tetratert-butyl-43,44-di(propan-2-yloxy)-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1,19,21,23,26(44),27,29,32,34,37,39,41(43)-dodecaene?
The InChIKey is BDDRDQCYZXEESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H86O8/c1-39(2)67-55-45-27-41-31-49(57(5,6)7)33-43-29-47-37-52(60(14,15)16)38-48(56(47)68-40(3)4)30-44-34-50(58(8,9)10)32-42(28-46(55)36-51(35-45)59(11,12)13)54(44)66-26-24-64-22-20-62-18-17-61-19-21-63-23-25-65-53(41)43/h31-40H,17-30H2,1-16H3.
What are the key properties of 22,28,34,39-tetratert-butyl-43,44-di(propan-2-yloxy)-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1,19,21,23,26(44),27,29,32,34,37,39,41(43)-dodecaene?
22,28,34,39-tetratert-butyl-43,44-di(propan-2-yloxy)-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1,19,21,23,26(44),27,29,32,34,37,39,41(43)-dodecaene has a molecular weight of 935.34 g/mol, XLogP of 12.97, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 22,28,34,39-tetratert-butyl-43,44-di(propan-2-yloxy)-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1,19,21,23,26(44),27,29,32,34,37,39,41(43)-dodecaene is sourced from PubChem (CID 102005391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).