(19S)-10-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

C32H38N2O4Si — CID 59911713

About (19S)-10-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

(19S)-10-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione (PubChem CID 59911713) has the molecular formula C32H38N2O4Si and a molecular weight of 542.75 g/mol. Its IUPAC name is (19S)-10-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione.

Molecular Properties

• Compound Name: (19S)-10-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
• PubChem CID: 59911713
• Molecular Formula: C32H38N2O4Si
• Molecular Weight: 542.75 g/mol
• Exact Mass: 542.26
• IUPAC Name: (19S)-10-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2[Si](C)(C)CC1CCC2CC1C2(C)C
• InChI: InChI=1S/C32H38N2O4Si/c1-6-32(37)24-14-26-27-21(15-34(26)29(35)22(24)16-38-30(32)36)28(20-9-7-8-10-25(20)33-27)39(4,5)17-18-11-12-19-13-23(18)31(19,2)3/h7-10,14,18-19,23,37H,6,11-13,15-17H2,1-5H3/t18?,19?,23?,32-/m0/s1
• InChIKey: NEFQZINKDXVTIC-BMUXUZABSA-N
• XLogP: 5.07
• TPSA: 81.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.75
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (19S)-10-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione?

The IUPAC name of (19S)-10-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione (CID 59911713) is (19S)-10-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione.

What is the SMILES notation for (19S)-10-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione?

The canonical SMILES for (19S)-10-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2[Si](C)(C)CC1CCC2CC1C2(C)C.

What is the InChIKey of (19S)-10-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione?

The InChIKey is NEFQZINKDXVTIC-BMUXUZABSA-N. The full InChI is InChI=1S/C32H38N2O4Si/c1-6-32(37)24-14-26-27-21(15-34(26)29(35)22(24)16-38-30(32)36)28(20-9-7-8-10-25(20)33-27)39(4,5)17-18-11-12-19-13-23(18)31(19,2)3/h7-10,14,18-19,23,37H,6,11-13,15-17H2,1-5H3/t18?,19?,23?,32-/m0/s1.

What are the key properties of (19S)-10-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione?

(19S)-10-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione has a molecular weight of 542.75 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (19S)-10-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione is sourced from PubChem (CID 59911713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).