1,15,18,32-tetramethyl-5,8,11,22,25,28,36,39,42,49,52,55-dodecaoxaundecacyclo[30.26.2.02,31.04,29.012,21.014,19.015,46.018,45.033,58.035,56.043,48]hexaconta-2,4(29),12(21),13,19,30,33,35(56),43(48),44,46,57-dodecaene

C52H60O12 — CID 101440695

IUPAC1,15,18,32-tetramethyl-5,8,11,22,25,28,36,39,42,49,52,55-dodecaoxaundecacyclo[30.26.2.02,31.04,29.012,21.014,19.015,46.018,45.033,58.035,56.043,48]hexaconta-2,4(29),12(21),13,19,30,33,35(56),43(48),44,46,57-dodecaene
SMILESCC12CCC3(C)c4cc5c(cc41)OCCOCCOc1cc4c(cc1OCCOCCO5)C1(C)CCC4(C)c4cc5c(cc41)OCCOCCOc1cc3c2cc1OCCOCCO5
InChIInChI=1S/C52H60O12/c1-49-5-6-50(2)35-27-43-41(25-33(35)49)57-17-9-53-13-21-61-45-29-37-39(31-47(45)63-23-15-55-11-19-59-43)52(4)8-7-51(37,3)38-30-46-48(32-40(38)52)64-24-16-56-12-20-60-44-28-36(50)34(49)26-42(44)58-18-10-54-14-22-62-46/h25-32H,5-24H2,1-4H3
InChIKeyXRHHJPLDIIKAEX-UHFFFAOYSA-N
MW877.04 g/mol
LogP7.96
Rot. Bonds

About 1,15,18,32-tetramethyl-5,8,11,22,25,28,36,39,42,49,52,55-dodecaoxaundecacyclo[30.26.2.02,31.04,29.012,21.014,19.015,46.018,45.033,58.035,56.043,48]hexaconta-2,4(29),12(21),13,19,30,33,35(56),43(48),44,46,57-dodecaene

1,15,18,32-tetramethyl-5,8,11,22,25,28,36,39,42,49,52,55-dodecaoxaundecacyclo[30.26.2.02,31.04,29.012,21.014,19.015,46.018,45.033,58.035,56.043,48]hexaconta-2,4(29),12(21),13,19,30,33,35(56),43(48),44,46,57-dodecaene (PubChem CID 101440695) has the molecular formula C52H60O12 and a molecular weight of 877.04 g/mol. Its IUPAC name is 1,15,18,32-tetramethyl-5,8,11,22,25,28,36,39,42,49,52,55-dodecaoxaundecacyclo[30.26.2.02,31.04,29.012,21.014,19.015,46.018,45.033,58.035,56.043,48]hexaconta-2,4(29),12(21),13,19,30,33,35(56),43(48),44,46,57-dodecaene.

Molecular Properties

Compound Name1,15,18,32-tetramethyl-5,8,11,22,25,28,36,39,42,49,52,55-dodecaoxaundecacyclo[30.26.2.02,31.04,29.012,21.014,19.015,46.018,45.033,58.035,56.043,48]hexaconta-2,4(29),12(21),13,19,30,33,35(56),43(48),44,46,57-dodecaene
PubChem CID101440695
Molecular FormulaC52H60O12
Molecular Weight877.04 g/mol
Exact Mass876.41
IUPAC Name1,15,18,32-tetramethyl-5,8,11,22,25,28,36,39,42,49,52,55-dodecaoxaundecacyclo[30.26.2.02,31.04,29.012,21.014,19.015,46.018,45.033,58.035,56.043,48]hexaconta-2,4(29),12(21),13,19,30,33,35(56),43(48),44,46,57-dodecaene
SMILESCC12CCC3(C)c4cc5c(cc41)OCCOCCOc1cc4c(cc1OCCOCCO5)C1(C)CCC4(C)c4cc5c(cc41)OCCOCCOc1cc3c2cc1OCCOCCO5
InChIInChI=1S/C52H60O12/c1-49-5-6-50(2)35-27-43-41(25-33(35)49)57-17-9-53-13-21-61-45-29-37-39(31-47(45)63-23-15-55-11-19-59-43)52(4)8-7-51(37,3)38-30-46-48(32-40(38)52)64-24-16-56-12-20-60-44-28-36(50)34(49)26-42(44)58-18-10-54-14-22-62-46/h25-32H,5-24H2,1-4H3
InChIKeyXRHHJPLDIIKAEX-UHFFFAOYSA-N
XLogP7.96
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500877.04
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1,15,18,32-tetramethyl-5,8,11,22,25,28,36,39,42,49,52,55-dodecaoxaundecacyclo[30.26.2.02,31.04,29.012,21.014,19.015,46.018,45.033,58.035,56.043,48]hexaconta-2,4(29),12(21),13,19,30,33,35(56),43(48),44,46,57-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,15,18,32-tetramethyl-5,8,11,22,25,28,36,39,42,49,52,55-dodecaoxaundecacyclo[30.26.2.02,31.04,29.012,21.014,19.015,46.018,45.033,58.035,56.043,48]hexaconta-2,4(29),12(21),13,19,30,33,35(56),43(48),44,46,57-dodecaene?
The IUPAC name of 1,15,18,32-tetramethyl-5,8,11,22,25,28,36,39,42,49,52,55-dodecaoxaundecacyclo[30.26.2.02,31.04,29.012,21.014,19.015,46.018,45.033,58.035,56.043,48]hexaconta-2,4(29),12(21),13,19,30,33,35(56),43(48),44,46,57-dodecaene (CID 101440695) is 1,15,18,32-tetramethyl-5,8,11,22,25,28,36,39,42,49,52,55-dodecaoxaundecacyclo[30.26.2.02,31.04,29.012,21.014,19.015,46.018,45.033,58.035,56.043,48]hexaconta-2,4(29),12(21),13,19,30,33,35(56),43(48),44,46,57-dodecaene.
What is the SMILES notation for 1,15,18,32-tetramethyl-5,8,11,22,25,28,36,39,42,49,52,55-dodecaoxaundecacyclo[30.26.2.02,31.04,29.012,21.014,19.015,46.018,45.033,58.035,56.043,48]hexaconta-2,4(29),12(21),13,19,30,33,35(56),43(48),44,46,57-dodecaene?
The canonical SMILES for 1,15,18,32-tetramethyl-5,8,11,22,25,28,36,39,42,49,52,55-dodecaoxaundecacyclo[30.26.2.02,31.04,29.012,21.014,19.015,46.018,45.033,58.035,56.043,48]hexaconta-2,4(29),12(21),13,19,30,33,35(56),43(48),44,46,57-dodecaene is CC12CCC3(C)c4cc5c(cc41)OCCOCCOc1cc4c(cc1OCCOCCO5)C1(C)CCC4(C)c4cc5c(cc41)OCCOCCOc1cc3c2cc1OCCOCCO5.
What is the InChIKey of 1,15,18,32-tetramethyl-5,8,11,22,25,28,36,39,42,49,52,55-dodecaoxaundecacyclo[30.26.2.02,31.04,29.012,21.014,19.015,46.018,45.033,58.035,56.043,48]hexaconta-2,4(29),12(21),13,19,30,33,35(56),43(48),44,46,57-dodecaene?
The InChIKey is XRHHJPLDIIKAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H60O12/c1-49-5-6-50(2)35-27-43-41(25-33(35)49)57-17-9-53-13-21-61-45-29-37-39(31-47(45)63-23-15-55-11-19-59-43)52(4)8-7-51(37,3)38-30-46-48(32-40(38)52)64-24-16-56-12-20-60-44-28-36(50)34(49)26-42(44)58-18-10-54-14-22-62-46/h25-32H,5-24H2,1-4H3.
What are the key properties of 1,15,18,32-tetramethyl-5,8,11,22,25,28,36,39,42,49,52,55-dodecaoxaundecacyclo[30.26.2.02,31.04,29.012,21.014,19.015,46.018,45.033,58.035,56.043,48]hexaconta-2,4(29),12(21),13,19,30,33,35(56),43(48),44,46,57-dodecaene?
1,15,18,32-tetramethyl-5,8,11,22,25,28,36,39,42,49,52,55-dodecaoxaundecacyclo[30.26.2.02,31.04,29.012,21.014,19.015,46.018,45.033,58.035,56.043,48]hexaconta-2,4(29),12(21),13,19,30,33,35(56),43(48),44,46,57-dodecaene has a molecular weight of 877.04 g/mol, XLogP of 7.96, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,15,18,32-tetramethyl-5,8,11,22,25,28,36,39,42,49,52,55-dodecaoxaundecacyclo[30.26.2.02,31.04,29.012,21.014,19.015,46.018,45.033,58.035,56.043,48]hexaconta-2,4(29),12(21),13,19,30,33,35(56),43(48),44,46,57-dodecaene is sourced from PubChem (CID 101440695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).