ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate

C27H39NO6 — CID 66797774

About ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate

ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate (PubChem CID 66797774) has the molecular formula C27H39NO6 and a molecular weight of 473.61 g/mol. Its IUPAC name is ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate.

Molecular Properties

• Compound Name: ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
• PubChem CID: 66797774
• Molecular Formula: C27H39NO6
• Molecular Weight: 473.61 g/mol
• Exact Mass: 473.28
• IUPAC Name: ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
• SMILES: CCOC(=O)OC1=C(c2c(C(C)C)cc(C(C)C)cc2C(C)C)C(=O)OC12CCN(OC)CC2
• InChI: InChI=1S/C27H39NO6/c1-9-32-26(30)33-24-23(25(29)34-27(24)10-12-28(31-8)13-11-27)22-20(17(4)5)14-19(16(2)3)15-21(22)18(6)7/h14-18H,9-13H2,1-8H3
• InChIKey: GOJCSLSWQMXWDC-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 74.30 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.61
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate?

The IUPAC name of ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate (CID 66797774) is ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate.

What is the SMILES notation for ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate?

The canonical SMILES for ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate is CCOC(=O)OC1=C(c2c(C(C)C)cc(C(C)C)cc2C(C)C)C(=O)OC12CCN(OC)CC2.

What is the InChIKey of ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate?

The InChIKey is GOJCSLSWQMXWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NO6/c1-9-32-26(30)33-24-23(25(29)34-27(24)10-12-28(31-8)13-11-27)22-20(17(4)5)14-19(16(2)3)15-21(22)18(6)7/h14-18H,9-13H2,1-8H3.

What are the key properties of ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate?

ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate has a molecular weight of 473.61 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate is sourced from PubChem (CID 66797774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).