methyl 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)-8-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),5,9,11,13(17),15-heptaene-4-carboxylate

C35H42N2O7Si — CID 172821861

About methyl 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)-8-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),5,9,11,13(17),15-heptaene-4-carboxylate

methyl 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)-8-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),5,9,11,13(17),15-heptaene-4-carboxylate (PubChem CID 172821861) has the molecular formula C35H42N2O7Si and a molecular weight of 630.81 g/mol. Its IUPAC name is methyl 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)-8-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),5,9,11,13(17),15-heptaene-4-carboxylate.

Molecular Properties

• Compound Name: methyl 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)-8-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),5,9,11,13(17),15-heptaene-4-carboxylate
• PubChem CID: 172821861
• Molecular Formula: C35H42N2O7Si
• Molecular Weight: 630.81 g/mol
• Exact Mass: 630.28
• IUPAC Name: methyl 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)-8-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),5,9,11,13(17),15-heptaene-4-carboxylate
• SMILES: COC(=O)C1(Cc2ccc(OC)cc2OC)C=Cc2c(c3cc4cc(CO[Si](C)(C)C(C)(C)C)[nH]c4cc3ccc2=O)N1CO
• InChI: InChI=1S/C35H42N2O7Si/c1-34(2,3)45(7,8)44-20-25-15-24-16-28-22(17-29(24)36-25)10-12-30(39)27-13-14-35(33(40)43-6,37(21-38)32(27)28)19-23-9-11-26(41-4)18-31(23)42-5/h9-18,36,38H,19-21H2,1-8H3
• InChIKey: UIIISYFAAHXASB-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 110.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.81
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)-8-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),5,9,11,13(17),15-heptaene-4-carboxylate?

The IUPAC name of methyl 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)-8-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),5,9,11,13(17),15-heptaene-4-carboxylate (CID 172821861) is methyl 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)-8-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),5,9,11,13(17),15-heptaene-4-carboxylate.

What is the SMILES notation for methyl 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)-8-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),5,9,11,13(17),15-heptaene-4-carboxylate?

The canonical SMILES for methyl 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)-8-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),5,9,11,13(17),15-heptaene-4-carboxylate is COC(=O)C1(Cc2ccc(OC)cc2OC)C=Cc2c(c3cc4cc(CO[Si](C)(C)C(C)(C)C)[nH]c4cc3ccc2=O)N1CO.

What is the InChIKey of methyl 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)-8-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),5,9,11,13(17),15-heptaene-4-carboxylate?

The InChIKey is UIIISYFAAHXASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N2O7Si/c1-34(2,3)45(7,8)44-20-25-15-24-16-28-22(17-29(24)36-25)10-12-30(39)27-13-14-35(33(40)43-6,37(21-38)32(27)28)19-23-9-11-26(41-4)18-31(23)42-5/h9-18,36,38H,19-21H2,1-8H3.

What are the key properties of methyl 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)-8-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),5,9,11,13(17),15-heptaene-4-carboxylate?

methyl 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)-8-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),5,9,11,13(17),15-heptaene-4-carboxylate has a molecular weight of 630.81 g/mol, XLogP of 6.16, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)-8-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),5,9,11,13(17),15-heptaene-4-carboxylate is sourced from PubChem (CID 172821861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).