[10,19-diethyl-7-[2-[hydroxy(dimethyl)silyl]-2-methylpropoxy]-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate

C29H33ClN2O7Si — CID 88912394

About [10,19-diethyl-7-[2-[hydroxy(dimethyl)silyl]-2-methylpropoxy]-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate

[10,19-diethyl-7-[2-[hydroxy(dimethyl)silyl]-2-methylpropoxy]-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate (PubChem CID 88912394) has the molecular formula C29H33ClN2O7Si and a molecular weight of 585.13 g/mol. Its IUPAC name is [10,19-diethyl-7-[2-[hydroxy(dimethyl)silyl]-2-methylpropoxy]-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate.

Molecular Properties

• Compound Name: [10,19-diethyl-7-[2-[hydroxy(dimethyl)silyl]-2-methylpropoxy]-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate
• PubChem CID: 88912394
• Molecular Formula: C29H33ClN2O7Si
• Molecular Weight: 585.13 g/mol
• Exact Mass: 584.17
• IUPAC Name: [10,19-diethyl-7-[2-[hydroxy(dimethyl)silyl]-2-methylpropoxy]-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate
• SMILES: CCc1c2c(nc3ccc(OCC(C)(C)[Si](C)(C)O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(CC)OC(=O)Cl
• InChI: InChI=1S/C29H33ClN2O7Si/c1-7-17-18-11-16(38-15-28(3,4)40(5,6)36)9-10-22(18)31-24-19(17)13-32-23(24)12-21-20(25(32)33)14-37-26(34)29(21,8-2)39-27(30)35/h9-12,36H,7-8,13-15H2,1-6H3
• InChIKey: FLWTULINDADPGU-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 116.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.13
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [10,19-diethyl-7-[2-[hydroxy(dimethyl)silyl]-2-methylpropoxy]-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate?

The IUPAC name of [10,19-diethyl-7-[2-[hydroxy(dimethyl)silyl]-2-methylpropoxy]-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate (CID 88912394) is [10,19-diethyl-7-[2-[hydroxy(dimethyl)silyl]-2-methylpropoxy]-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate.

What is the SMILES notation for [10,19-diethyl-7-[2-[hydroxy(dimethyl)silyl]-2-methylpropoxy]-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate?

The canonical SMILES for [10,19-diethyl-7-[2-[hydroxy(dimethyl)silyl]-2-methylpropoxy]-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate is CCc1c2c(nc3ccc(OCC(C)(C)[Si](C)(C)O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(CC)OC(=O)Cl.

What is the InChIKey of [10,19-diethyl-7-[2-[hydroxy(dimethyl)silyl]-2-methylpropoxy]-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate?

The InChIKey is FLWTULINDADPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN2O7Si/c1-7-17-18-11-16(38-15-28(3,4)40(5,6)36)9-10-22(18)31-24-19(17)13-32-23(24)12-21-20(25(32)33)14-37-26(34)29(21,8-2)39-27(30)35/h9-12,36H,7-8,13-15H2,1-6H3.

What are the key properties of [10,19-diethyl-7-[2-[hydroxy(dimethyl)silyl]-2-methylpropoxy]-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate?

[10,19-diethyl-7-[2-[hydroxy(dimethyl)silyl]-2-methylpropoxy]-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate has a molecular weight of 585.13 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [10,19-diethyl-7-[2-[hydroxy(dimethyl)silyl]-2-methylpropoxy]-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate is sourced from PubChem (CID 88912394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).