4,5,6,8,9,10,14,15,16,20,21,22,24,25,26,30,31,32-octadecamethyldecacyclo[15.15.2.13,7.119,23.02,12.013,34.018,28.029,33.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14,16,18(28),19,21,23(35),24,26,29(33),30-heptadecaene

C54H56 — CID 58652131

IUPAC4,5,6,8,9,10,14,15,16,20,21,22,24,25,26,30,31,32-octadecamethyldecacyclo[15.15.2.13,7.119,23.02,12.013,34.018,28.029,33.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14,16,18(28),19,21,23(35),24,26,29(33),30-heptadecaene
SMILESCC1=C(C)C2=C3C(=C4C5=C(C(C)=C(C)C4C)C4=C(C(=C1C)C52)c1c(C)c(C)c(C)c2c(C)c(C)c(C)c4c12)c1c(C)c(C)c(C)c2c(C)c(C)c(C)c3c12
InChIInChI=1S/C54H56/c1-19-25(7)37-26(8)20(2)30(12)40-47(37)39(29(19)11)49-43-33(15)23(5)35(17)45-51-41-31(13)21(3)27(9)38-28(10)22(4)32(14)42(48(38)41)52(51)46-36(18)24(6)34(16)44(50(40)49)54(46)53(43)45/h33,54H,1-18H3
InChIKeyRRKCTPKCOOJSDX-UHFFFAOYSA-N
MW705.04 g/mol
LogP14.73
Rot. Bonds

About 4,5,6,8,9,10,14,15,16,20,21,22,24,25,26,30,31,32-octadecamethyldecacyclo[15.15.2.13,7.119,23.02,12.013,34.018,28.029,33.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14,16,18(28),19,21,23(35),24,26,29(33),30-heptadecaene

4,5,6,8,9,10,14,15,16,20,21,22,24,25,26,30,31,32-octadecamethyldecacyclo[15.15.2.13,7.119,23.02,12.013,34.018,28.029,33.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14,16,18(28),19,21,23(35),24,26,29(33),30-heptadecaene (PubChem CID 58652131) has the molecular formula C54H56 and a molecular weight of 705.04 g/mol. Its IUPAC name is 4,5,6,8,9,10,14,15,16,20,21,22,24,25,26,30,31,32-octadecamethyldecacyclo[15.15.2.13,7.119,23.02,12.013,34.018,28.029,33.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14,16,18(28),19,21,23(35),24,26,29(33),30-heptadecaene.

Molecular Properties

Compound Name4,5,6,8,9,10,14,15,16,20,21,22,24,25,26,30,31,32-octadecamethyldecacyclo[15.15.2.13,7.119,23.02,12.013,34.018,28.029,33.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14,16,18(28),19,21,23(35),24,26,29(33),30-heptadecaene
PubChem CID58652131
Molecular FormulaC54H56
Molecular Weight705.04 g/mol
Exact Mass704.44
IUPAC Name4,5,6,8,9,10,14,15,16,20,21,22,24,25,26,30,31,32-octadecamethyldecacyclo[15.15.2.13,7.119,23.02,12.013,34.018,28.029,33.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14,16,18(28),19,21,23(35),24,26,29(33),30-heptadecaene
SMILESCC1=C(C)C2=C3C(=C4C5=C(C(C)=C(C)C4C)C4=C(C(=C1C)C52)c1c(C)c(C)c(C)c2c(C)c(C)c(C)c4c12)c1c(C)c(C)c(C)c2c(C)c(C)c(C)c3c12
InChIInChI=1S/C54H56/c1-19-25(7)37-26(8)20(2)30(12)40-47(37)39(29(19)11)49-43-33(15)23(5)35(17)45-51-41-31(13)21(3)27(9)38-28(10)22(4)32(14)42(48(38)41)52(51)46-36(18)24(6)34(16)44(50(40)49)54(46)53(43)45/h33,54H,1-18H3
InChIKeyRRKCTPKCOOJSDX-UHFFFAOYSA-N
XLogP14.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.04
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4,5,6,8,9,10,14,15,16,20,21,22,24,25,26,30,31,32-octadecamethyldecacyclo[15.15.2.13,7.119,23.02,12.013,34.018,28.029,33.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14,16,18(28),19,21,23(35),24,26,29(33),30-heptadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,8,9,10,14,15,16,20,21,22,24,25,26,30,31,32-octadecamethyldecacyclo[15.15.2.13,7.119,23.02,12.013,34.018,28.029,33.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14,16,18(28),19,21,23(35),24,26,29(33),30-heptadecaene?
The IUPAC name of 4,5,6,8,9,10,14,15,16,20,21,22,24,25,26,30,31,32-octadecamethyldecacyclo[15.15.2.13,7.119,23.02,12.013,34.018,28.029,33.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14,16,18(28),19,21,23(35),24,26,29(33),30-heptadecaene (CID 58652131) is 4,5,6,8,9,10,14,15,16,20,21,22,24,25,26,30,31,32-octadecamethyldecacyclo[15.15.2.13,7.119,23.02,12.013,34.018,28.029,33.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14,16,18(28),19,21,23(35),24,26,29(33),30-heptadecaene.
What is the SMILES notation for 4,5,6,8,9,10,14,15,16,20,21,22,24,25,26,30,31,32-octadecamethyldecacyclo[15.15.2.13,7.119,23.02,12.013,34.018,28.029,33.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14,16,18(28),19,21,23(35),24,26,29(33),30-heptadecaene?
The canonical SMILES for 4,5,6,8,9,10,14,15,16,20,21,22,24,25,26,30,31,32-octadecamethyldecacyclo[15.15.2.13,7.119,23.02,12.013,34.018,28.029,33.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14,16,18(28),19,21,23(35),24,26,29(33),30-heptadecaene is CC1=C(C)C2=C3C(=C4C5=C(C(C)=C(C)C4C)C4=C(C(=C1C)C52)c1c(C)c(C)c(C)c2c(C)c(C)c(C)c4c12)c1c(C)c(C)c(C)c2c(C)c(C)c(C)c3c12.
What is the InChIKey of 4,5,6,8,9,10,14,15,16,20,21,22,24,25,26,30,31,32-octadecamethyldecacyclo[15.15.2.13,7.119,23.02,12.013,34.018,28.029,33.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14,16,18(28),19,21,23(35),24,26,29(33),30-heptadecaene?
The InChIKey is RRKCTPKCOOJSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H56/c1-19-25(7)37-26(8)20(2)30(12)40-47(37)39(29(19)11)49-43-33(15)23(5)35(17)45-51-41-31(13)21(3)27(9)38-28(10)22(4)32(14)42(48(38)41)52(51)46-36(18)24(6)34(16)44(50(40)49)54(46)53(43)45/h33,54H,1-18H3.
What are the key properties of 4,5,6,8,9,10,14,15,16,20,21,22,24,25,26,30,31,32-octadecamethyldecacyclo[15.15.2.13,7.119,23.02,12.013,34.018,28.029,33.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14,16,18(28),19,21,23(35),24,26,29(33),30-heptadecaene?
4,5,6,8,9,10,14,15,16,20,21,22,24,25,26,30,31,32-octadecamethyldecacyclo[15.15.2.13,7.119,23.02,12.013,34.018,28.029,33.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14,16,18(28),19,21,23(35),24,26,29(33),30-heptadecaene has a molecular weight of 705.04 g/mol, XLogP of 14.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,8,9,10,14,15,16,20,21,22,24,25,26,30,31,32-octadecamethyldecacyclo[15.15.2.13,7.119,23.02,12.013,34.018,28.029,33.011,36.027,35]hexatriaconta-1,3,5,7(36),8,10,12,14,16,18(28),19,21,23(35),24,26,29(33),30-heptadecaene is sourced from PubChem (CID 58652131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).