17-ethenyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16-[(Z)-prop-1-enyl]-24,31-dioxa-2,20-diaza-9-sila-1-boranonacyclo[17.15.1.12,10.03,8.015,35.021,34.023,32.025,30.014,36]hexatriaconta-3,5,7,10,12,14(36),15,17,19(35),21,23(32),25,27,29,33-pentadecaene

C52H49BN2O2Si — CID 174137815

About 17-ethenyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16-[(Z)-prop-1-enyl]-24,31-dioxa-2,20-diaza-9-sila-1-boranonacyclo[17.15.1.12,10.03,8.015,35.021,34.023,32.025,30.014,36]hexatriaconta-3,5,7,10,12,14(36),15,17,19(35),21,23(32),25,27,29,33-pentadecaene

17-ethenyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16-[(Z)-prop-1-enyl]-24,31-dioxa-2,20-diaza-9-sila-1-boranonacyclo[17.15.1.12,10.03,8.015,35.021,34.023,32.025,30.014,36]hexatriaconta-3,5,7,10,12,14(36),15,17,19(35),21,23(32),25,27,29,33-pentadecaene (PubChem CID 174137815) has the molecular formula C52H49BN2O2Si and a molecular weight of 772.87 g/mol. Its IUPAC name is 17-ethenyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16-[(Z)-prop-1-enyl]-24,31-dioxa-2,20-diaza-9-sila-1-boranonacyclo[17.15.1.12,10.03,8.015,35.021,34.023,32.025,30.014,36]hexatriaconta-3,5,7,10,12,14(36),15,17,19(35),21,23(32),25,27,29,33-pentadecaene.

Molecular Properties

• Compound Name: 17-ethenyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16-[(Z)-prop-1-enyl]-24,31-dioxa-2,20-diaza-9-sila-1-boranonacyclo[17.15.1.12,10.03,8.015,35.021,34.023,32.025,30.014,36]hexatriaconta-3,5,7,10,12,14(36),15,17,19(35),21,23(32),25,27,29,33-pentadecaene
• PubChem CID: 174137815
• Molecular Formula: C52H49BN2O2Si
• Molecular Weight: 772.87 g/mol
• Exact Mass: 772.37
• IUPAC Name: 17-ethenyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16-[(Z)-prop-1-enyl]-24,31-dioxa-2,20-diaza-9-sila-1-boranonacyclo[17.15.1.12,10.03,8.015,35.021,34.023,32.025,30.014,36]hexatriaconta-3,5,7,10,12,14(36),15,17,19(35),21,23(32),25,27,29,33-pentadecaene
• SMILES: C=Cc1cc2c3c(c1/C=C\C)-c1cccc4c1N(B3c1cc3c(cc1N2c1cc2c(cc1C)C(C)(C)CCC2(C)C)Oc1ccccc1O3)c1ccccc1[Si]4(C)C
• InChI: InChI=1S/C52H49BN2O2Si/c1-10-17-33-32(11-2)27-41-49-48(33)34-18-16-23-47-50(34)55(38-19-12-15-22-46(38)58(47,8)9)53(49)37-29-44-45(57-43-21-14-13-20-42(43)56-44)30-40(37)54(41)39-28-36-35(26-31(39)3)51(4,5)24-25-52(36,6)7/h10-23,26-30H,2,24-25H2,1,3-9H3/b17-10-
• InChIKey: AGMGRPJTISWCEM-YVLHZVERSA-N
• XLogP: 11.76
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.87
LogP ≤ 5	11.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 17-ethenyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16-[(Z)-prop-1-enyl]-24,31-dioxa-2,20-diaza-9-sila-1-boranonacyclo[17.15.1.12,10.03,8.015,35.021,34.023,32.025,30.014,36]hexatriaconta-3,5,7,10,12,14(36),15,17,19(35),21,23(32),25,27,29,33-pentadecaene?

The IUPAC name of 17-ethenyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16-[(Z)-prop-1-enyl]-24,31-dioxa-2,20-diaza-9-sila-1-boranonacyclo[17.15.1.12,10.03,8.015,35.021,34.023,32.025,30.014,36]hexatriaconta-3,5,7,10,12,14(36),15,17,19(35),21,23(32),25,27,29,33-pentadecaene (CID 174137815) is 17-ethenyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16-[(Z)-prop-1-enyl]-24,31-dioxa-2,20-diaza-9-sila-1-boranonacyclo[17.15.1.12,10.03,8.015,35.021,34.023,32.025,30.014,36]hexatriaconta-3,5,7,10,12,14(36),15,17,19(35),21,23(32),25,27,29,33-pentadecaene.

What is the SMILES notation for 17-ethenyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16-[(Z)-prop-1-enyl]-24,31-dioxa-2,20-diaza-9-sila-1-boranonacyclo[17.15.1.12,10.03,8.015,35.021,34.023,32.025,30.014,36]hexatriaconta-3,5,7,10,12,14(36),15,17,19(35),21,23(32),25,27,29,33-pentadecaene?

The canonical SMILES for 17-ethenyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16-[(Z)-prop-1-enyl]-24,31-dioxa-2,20-diaza-9-sila-1-boranonacyclo[17.15.1.12,10.03,8.015,35.021,34.023,32.025,30.014,36]hexatriaconta-3,5,7,10,12,14(36),15,17,19(35),21,23(32),25,27,29,33-pentadecaene is C=Cc1cc2c3c(c1/C=C\C)-c1cccc4c1N(B3c1cc3c(cc1N2c1cc2c(cc1C)C(C)(C)CCC2(C)C)Oc1ccccc1O3)c1ccccc1[Si]4(C)C.

What is the InChIKey of 17-ethenyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16-[(Z)-prop-1-enyl]-24,31-dioxa-2,20-diaza-9-sila-1-boranonacyclo[17.15.1.12,10.03,8.015,35.021,34.023,32.025,30.014,36]hexatriaconta-3,5,7,10,12,14(36),15,17,19(35),21,23(32),25,27,29,33-pentadecaene?

The InChIKey is AGMGRPJTISWCEM-YVLHZVERSA-N. The full InChI is InChI=1S/C52H49BN2O2Si/c1-10-17-33-32(11-2)27-41-49-48(33)34-18-16-23-47-50(34)55(38-19-12-15-22-46(38)58(47,8)9)53(49)37-29-44-45(57-43-21-14-13-20-42(43)56-44)30-40(37)54(41)39-28-36-35(26-31(39)3)51(4,5)24-25-52(36,6)7/h10-23,26-30H,2,24-25H2,1,3-9H3/b17-10-.

What are the key properties of 17-ethenyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16-[(Z)-prop-1-enyl]-24,31-dioxa-2,20-diaza-9-sila-1-boranonacyclo[17.15.1.12,10.03,8.015,35.021,34.023,32.025,30.014,36]hexatriaconta-3,5,7,10,12,14(36),15,17,19(35),21,23(32),25,27,29,33-pentadecaene?

17-ethenyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16-[(Z)-prop-1-enyl]-24,31-dioxa-2,20-diaza-9-sila-1-boranonacyclo[17.15.1.12,10.03,8.015,35.021,34.023,32.025,30.014,36]hexatriaconta-3,5,7,10,12,14(36),15,17,19(35),21,23(32),25,27,29,33-pentadecaene has a molecular weight of 772.87 g/mol, XLogP of 11.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 17-ethenyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16-[(Z)-prop-1-enyl]-24,31-dioxa-2,20-diaza-9-sila-1-boranonacyclo[17.15.1.12,10.03,8.015,35.021,34.023,32.025,30.014,36]hexatriaconta-3,5,7,10,12,14(36),15,17,19(35),21,23(32),25,27,29,33-pentadecaene is sourced from PubChem (CID 174137815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).