6,10,17,21,28,32-hexatert-butyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4(36),5,7,9,11,13,15,17,19,21,23(35),24,26(34),27,29,31-octadecaene

C60H66 — CID 15467576

IUPAC6,10,17,21,28,32-hexatert-butyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4(36),5,7,9,11,13,15,17,19,21,23(35),24,26(34),27,29,31-octadecaene
SMILESCC(C)(C)c1cc2cc(C(C)(C)C)cc3c2c(c1)c1c2c4cc(C(C)(C)C)cc5cc(C(C)(C)C)cc(c54)c2c2c4cc(C(C)(C)C)cc5cc(C(C)(C)C)cc(c54)c2c31
InChIInChI=1S/C60H66/c1-55(2,3)34-19-31-20-35(56(4,5)6)26-41-46(31)40(25-34)49-50(41)52-44-29-38(59(13,14)15)23-33-24-39(60(16,17)18)30-45(48(33)44)54(52)53-43-28-37(58(10,11)12)22-32-21-36(57(7,8)9)27-42(47(32)43)51(49)53/h19-30H,1-18H3
InChIKeyNYCLVEYWCCWVAS-UHFFFAOYSA-N
MW787.19 g/mol
LogP18.16
Rot. Bonds

About 6,10,17,21,28,32-hexatert-butyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4(36),5,7,9,11,13,15,17,19,21,23(35),24,26(34),27,29,31-octadecaene

6,10,17,21,28,32-hexatert-butyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4(36),5,7,9,11,13,15,17,19,21,23(35),24,26(34),27,29,31-octadecaene (PubChem CID 15467576) has the molecular formula C60H66 and a molecular weight of 787.19 g/mol. Its IUPAC name is 6,10,17,21,28,32-hexatert-butyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4(36),5,7,9,11,13,15,17,19,21,23(35),24,26(34),27,29,31-octadecaene.

Molecular Properties

Compound Name6,10,17,21,28,32-hexatert-butyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4(36),5,7,9,11,13,15,17,19,21,23(35),24,26(34),27,29,31-octadecaene
PubChem CID15467576
Molecular FormulaC60H66
Molecular Weight787.19 g/mol
Exact Mass786.52
IUPAC Name6,10,17,21,28,32-hexatert-butyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4(36),5,7,9,11,13,15,17,19,21,23(35),24,26(34),27,29,31-octadecaene
SMILESCC(C)(C)c1cc2cc(C(C)(C)C)cc3c2c(c1)c1c2c4cc(C(C)(C)C)cc5cc(C(C)(C)C)cc(c54)c2c2c4cc(C(C)(C)C)cc5cc(C(C)(C)C)cc(c54)c2c31
InChIInChI=1S/C60H66/c1-55(2,3)34-19-31-20-35(56(4,5)6)26-41-46(31)40(25-34)49-50(41)52-44-29-38(59(13,14)15)23-33-24-39(60(16,17)18)30-45(48(33)44)54(52)53-43-28-37(58(10,11)12)22-32-21-36(57(7,8)9)27-42(47(32)43)51(49)53/h19-30H,1-18H3
InChIKeyNYCLVEYWCCWVAS-UHFFFAOYSA-N
XLogP18.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.19
LogP ≤ 518.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6,10,17,21,28,32-hexatert-butyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4(36),5,7,9,11,13,15,17,19,21,23(35),24,26(34),27,29,31-octadecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,10,17,21,28,32-hexatert-butyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4(36),5,7,9,11,13,15,17,19,21,23(35),24,26(34),27,29,31-octadecaene?
The IUPAC name of 6,10,17,21,28,32-hexatert-butyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4(36),5,7,9,11,13,15,17,19,21,23(35),24,26(34),27,29,31-octadecaene (CID 15467576) is 6,10,17,21,28,32-hexatert-butyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4(36),5,7,9,11,13,15,17,19,21,23(35),24,26(34),27,29,31-octadecaene.
What is the SMILES notation for 6,10,17,21,28,32-hexatert-butyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4(36),5,7,9,11,13,15,17,19,21,23(35),24,26(34),27,29,31-octadecaene?
The canonical SMILES for 6,10,17,21,28,32-hexatert-butyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4(36),5,7,9,11,13,15,17,19,21,23(35),24,26(34),27,29,31-octadecaene is CC(C)(C)c1cc2cc(C(C)(C)C)cc3c2c(c1)c1c2c4cc(C(C)(C)C)cc5cc(C(C)(C)C)cc(c54)c2c2c4cc(C(C)(C)C)cc5cc(C(C)(C)C)cc(c54)c2c31.
What is the InChIKey of 6,10,17,21,28,32-hexatert-butyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4(36),5,7,9,11,13,15,17,19,21,23(35),24,26(34),27,29,31-octadecaene?
The InChIKey is NYCLVEYWCCWVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H66/c1-55(2,3)34-19-31-20-35(56(4,5)6)26-41-46(31)40(25-34)49-50(41)52-44-29-38(59(13,14)15)23-33-24-39(60(16,17)18)30-45(48(33)44)54(52)53-43-28-37(58(10,11)12)22-32-21-36(57(7,8)9)27-42(47(32)43)51(49)53/h19-30H,1-18H3.
What are the key properties of 6,10,17,21,28,32-hexatert-butyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4(36),5,7,9,11,13,15,17,19,21,23(35),24,26(34),27,29,31-octadecaene?
6,10,17,21,28,32-hexatert-butyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4(36),5,7,9,11,13,15,17,19,21,23(35),24,26(34),27,29,31-octadecaene has a molecular weight of 787.19 g/mol, XLogP of 18.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,17,21,28,32-hexatert-butyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4(36),5,7,9,11,13,15,17,19,21,23(35),24,26(34),27,29,31-octadecaene is sourced from PubChem (CID 15467576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).