5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentakis(prop-2-enoxy)hexacyclo[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

C70H90O5 — CID 14932372

IUPAC5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentakis(prop-2-enoxy)hexacyclo[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
SMILESC=CCOc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCC=C)Cc1cc(C(C)(C)C)cc(c1OCC=C)Cc1cc(C(C)(C)C)cc(c1OCC=C)Cc1cc(C(C)(C)C)cc(c1OCC=C)C2
InChIInChI=1S/C70H90O5/c1-21-26-71-61-46-31-48-38-57(67(9,10)11)40-50(62(48)72-27-22-2)33-52-42-59(69(15,16)17)44-54(64(52)74-29-24-4)35-55-45-60(70(18,19)20)43-53(65(55)75-30-25-5)34-51-41-58(68(12,13)14)39-49(63(51)73-28-23-3)32-47(61)37-56(36-46)66(6,7)8/h21-25,36-45H,1-5,26-35H2,6-20H3
InChIKeyKTVAPTZHWSYCCM-UHFFFAOYSA-N
MW1011.48 g/mol
LogP17.27
Rot. Bonds15

About 5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentakis(prop-2-enoxy)hexacyclo[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

5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentakis(prop-2-enoxy)hexacyclo[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 (PubChem CID 14932372) has the molecular formula C70H90O5 and a molecular weight of 1011.48 g/mol. Its IUPAC name is 5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentakis(prop-2-enoxy)hexacyclo[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.

Molecular Properties

Compound Name5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentakis(prop-2-enoxy)hexacyclo[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
PubChem CID14932372
Molecular FormulaC70H90O5
Molecular Weight1011.48 g/mol
Exact Mass1010.68
IUPAC Name5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentakis(prop-2-enoxy)hexacyclo[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
SMILESC=CCOc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCC=C)Cc1cc(C(C)(C)C)cc(c1OCC=C)Cc1cc(C(C)(C)C)cc(c1OCC=C)Cc1cc(C(C)(C)C)cc(c1OCC=C)C2
InChIInChI=1S/C70H90O5/c1-21-26-71-61-46-31-48-38-57(67(9,10)11)40-50(62(48)72-27-22-2)33-52-42-59(69(15,16)17)44-54(64(52)74-29-24-4)35-55-45-60(70(18,19)20)43-53(65(55)75-30-25-5)34-51-41-58(68(12,13)14)39-49(63(51)73-28-23-3)32-47(61)37-56(36-46)66(6,7)8/h21-25,36-45H,1-5,26-35H2,6-20H3
InChIKeyKTVAPTZHWSYCCM-UHFFFAOYSA-N
XLogP17.27
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.48
LogP ≤ 517.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentakis(prop-2-enoxy)hexacyclo[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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentakis(prop-2-enoxy)hexacyclo[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?
The IUPAC name of 5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentakis(prop-2-enoxy)hexacyclo[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 14932372) is 5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentakis(prop-2-enoxy)hexacyclo[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.
What is the SMILES notation for 5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentakis(prop-2-enoxy)hexacyclo[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?
The canonical SMILES for 5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentakis(prop-2-enoxy)hexacyclo[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 is C=CCOc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCC=C)Cc1cc(C(C)(C)C)cc(c1OCC=C)Cc1cc(C(C)(C)C)cc(c1OCC=C)Cc1cc(C(C)(C)C)cc(c1OCC=C)C2.
What is the InChIKey of 5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentakis(prop-2-enoxy)hexacyclo[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?
The InChIKey is KTVAPTZHWSYCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H90O5/c1-21-26-71-61-46-31-48-38-57(67(9,10)11)40-50(62(48)72-27-22-2)33-52-42-59(69(15,16)17)44-54(64(52)74-29-24-4)35-55-45-60(70(18,19)20)43-53(65(55)75-30-25-5)34-51-41-58(68(12,13)14)39-49(63(51)73-28-23-3)32-47(61)37-56(36-46)66(6,7)8/h21-25,36-45H,1-5,26-35H2,6-20H3.
What are the key properties of 5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentakis(prop-2-enoxy)hexacyclo[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?
5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentakis(prop-2-enoxy)hexacyclo[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 has a molecular weight of 1011.48 g/mol, XLogP of 17.27, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentakis(prop-2-enoxy)hexacyclo[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 is sourced from PubChem (CID 14932372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).