ethyl N-[2-[(6R)-6-[tert-butyl(diphenyl)silyl]oxycyclohexen-1-yl]ethyl]-N-(1-ethoxy-2-methylpropyl)carbamate

C33H49NO4Si — CID 11215004

About ethyl N-[2-[(6R)-6-[tert-butyl(diphenyl)silyl]oxycyclohexen-1-yl]ethyl]-N-(1-ethoxy-2-methylpropyl)carbamate

ethyl N-[2-[(6R)-6-[tert-butyl(diphenyl)silyl]oxycyclohexen-1-yl]ethyl]-N-(1-ethoxy-2-methylpropyl)carbamate (PubChem CID 11215004) has the molecular formula C33H49NO4Si and a molecular weight of 551.84 g/mol. Its IUPAC name is ethyl N-[2-[(6R)-6-[tert-butyl(diphenyl)silyl]oxycyclohexen-1-yl]ethyl]-N-(1-ethoxy-2-methylpropyl)carbamate.

Molecular Properties

• Compound Name: ethyl N-[2-[(6R)-6-[tert-butyl(diphenyl)silyl]oxycyclohexen-1-yl]ethyl]-N-(1-ethoxy-2-methylpropyl)carbamate
• PubChem CID: 11215004
• Molecular Formula: C33H49NO4Si
• Molecular Weight: 551.84 g/mol
• Exact Mass: 551.34
• IUPAC Name: ethyl N-[2-[(6R)-6-[tert-butyl(diphenyl)silyl]oxycyclohexen-1-yl]ethyl]-N-(1-ethoxy-2-methylpropyl)carbamate
• SMILES: CCOC(=O)N(CCC1=CCCC[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(OCC)C(C)C
• InChI: InChI=1S/C33H49NO4Si/c1-8-36-31(26(3)4)34(32(35)37-9-2)25-24-27-18-16-17-23-30(27)38-39(33(5,6)7,28-19-12-10-13-20-28)29-21-14-11-15-22-29/h10-15,18-22,26,30-31H,8-9,16-17,23-25H2,1-7H3/t30-,31?/m1/s1
• InChIKey: DKBHXYKBZYQJTF-PBBFAOSKSA-N
• XLogP: 6.91
• TPSA: 48.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.84
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 ethyl N-[2-[(6R)-6-[tert-butyl(diphenyl)silyl]oxycyclohexen-1-yl]ethyl]-N-(1-ethoxy-2-methylpropyl)carbamate?

The IUPAC name of ethyl N-[2-[(6R)-6-[tert-butyl(diphenyl)silyl]oxycyclohexen-1-yl]ethyl]-N-(1-ethoxy-2-methylpropyl)carbamate (CID 11215004) is ethyl N-[2-[(6R)-6-[tert-butyl(diphenyl)silyl]oxycyclohexen-1-yl]ethyl]-N-(1-ethoxy-2-methylpropyl)carbamate.

What is the SMILES notation for ethyl N-[2-[(6R)-6-[tert-butyl(diphenyl)silyl]oxycyclohexen-1-yl]ethyl]-N-(1-ethoxy-2-methylpropyl)carbamate?

The canonical SMILES for ethyl N-[2-[(6R)-6-[tert-butyl(diphenyl)silyl]oxycyclohexen-1-yl]ethyl]-N-(1-ethoxy-2-methylpropyl)carbamate is CCOC(=O)N(CCC1=CCCC[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(OCC)C(C)C.

What is the InChIKey of ethyl N-[2-[(6R)-6-[tert-butyl(diphenyl)silyl]oxycyclohexen-1-yl]ethyl]-N-(1-ethoxy-2-methylpropyl)carbamate?

The InChIKey is DKBHXYKBZYQJTF-PBBFAOSKSA-N. The full InChI is InChI=1S/C33H49NO4Si/c1-8-36-31(26(3)4)34(32(35)37-9-2)25-24-27-18-16-17-23-30(27)38-39(33(5,6)7,28-19-12-10-13-20-28)29-21-14-11-15-22-29/h10-15,18-22,26,30-31H,8-9,16-17,23-25H2,1-7H3/t30-,31?/m1/s1.

What are the key properties of ethyl N-[2-[(6R)-6-[tert-butyl(diphenyl)silyl]oxycyclohexen-1-yl]ethyl]-N-(1-ethoxy-2-methylpropyl)carbamate?

ethyl N-[2-[(6R)-6-[tert-butyl(diphenyl)silyl]oxycyclohexen-1-yl]ethyl]-N-(1-ethoxy-2-methylpropyl)carbamate has a molecular weight of 551.84 g/mol, XLogP of 6.91, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[2-[(6R)-6-[tert-butyl(diphenyl)silyl]oxycyclohexen-1-yl]ethyl]-N-(1-ethoxy-2-methylpropyl)carbamate is sourced from PubChem (CID 11215004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).