tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(5S,9S,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaen-20-yl]carbamate

C37H57NO10Si — CID 91404255

About tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(5S,9S,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaen-20-yl]carbamate

tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(5S,9S,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaen-20-yl]carbamate (PubChem CID 91404255) has the molecular formula C37H57NO10Si and a molecular weight of 703.95 g/mol. Its IUPAC name is tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(5S,9S,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaen-20-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(5S,9S,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaen-20-yl]carbamate
• PubChem CID: 91404255
• Molecular Formula: C37H57NO10Si
• Molecular Weight: 703.95 g/mol
• Exact Mass: 703.38
• IUPAC Name: tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(5S,9S,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaen-20-yl]carbamate
• SMILES: COCOc1cc(N(CCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C)cc2c1C(=O)O[C@@H](C)C(C)=CCC(=O)[C@H]1OC(C)(C)O[C@H]1CC=C2
• InChI: InChI=1S/C37H57NO10Si/c1-24-17-18-28(39)32-29(46-37(9,10)47-32)16-14-15-26-21-27(22-30(43-23-42-11)31(26)33(40)45-25(24)2)38(34(41)48-35(3,4)5)19-20-44-49(12,13)36(6,7)8/h14-15,17,21-22,25,29,32H,16,18-20,23H2,1-13H3/t25-,29-,32+/m0/s1
• InChIKey: VLDRBUWJUNQBIO-XTGFQOFXSA-N
• XLogP: 7.82
• TPSA: 119.06 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.95
LogP ≤ 5	7.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(5S,9S,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaen-20-yl]carbamate?

The IUPAC name of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(5S,9S,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaen-20-yl]carbamate (CID 91404255) is tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(5S,9S,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaen-20-yl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(5S,9S,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaen-20-yl]carbamate?

The canonical SMILES for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(5S,9S,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaen-20-yl]carbamate is COCOc1cc(N(CCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C)cc2c1C(=O)O[C@@H](C)C(C)=CCC(=O)[C@H]1OC(C)(C)O[C@H]1CC=C2.

What is the InChIKey of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(5S,9S,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaen-20-yl]carbamate?

The InChIKey is VLDRBUWJUNQBIO-XTGFQOFXSA-N. The full InChI is InChI=1S/C37H57NO10Si/c1-24-17-18-28(39)32-29(46-37(9,10)47-32)16-14-15-26-21-27(22-30(43-23-42-11)31(26)33(40)45-25(24)2)38(34(41)48-35(3,4)5)19-20-44-49(12,13)36(6,7)8/h14-15,17,21-22,25,29,32H,16,18-20,23H2,1-13H3/t25-,29-,32+/m0/s1.

What are the key properties of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(5S,9S,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaen-20-yl]carbamate?

tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(5S,9S,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaen-20-yl]carbamate has a molecular weight of 703.95 g/mol, XLogP of 7.82, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(5S,9S,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaen-20-yl]carbamate is sourced from PubChem (CID 91404255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).