tert-butyl N-[8-[di(butan-2-yl)-propan-2-ylsilyl]oxy-9-methyl-7-(naphthalen-1-ylmethyl)-2-oxo-1,5-dioxonan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C40H63NO8Si — CID 123810021

About tert-butyl N-[8-[di(butan-2-yl)-propan-2-ylsilyl]oxy-9-methyl-7-(naphthalen-1-ylmethyl)-2-oxo-1,5-dioxonan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-[8-[di(butan-2-yl)-propan-2-ylsilyl]oxy-9-methyl-7-(naphthalen-1-ylmethyl)-2-oxo-1,5-dioxonan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 123810021) has the molecular formula C40H63NO8Si and a molecular weight of 714.03 g/mol. Its IUPAC name is tert-butyl N-[8-[di(butan-2-yl)-propan-2-ylsilyl]oxy-9-methyl-7-(naphthalen-1-ylmethyl)-2-oxo-1,5-dioxonan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[8-[di(butan-2-yl)-propan-2-ylsilyl]oxy-9-methyl-7-(naphthalen-1-ylmethyl)-2-oxo-1,5-dioxonan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
• PubChem CID: 123810021
• Molecular Formula: C40H63NO8Si
• Molecular Weight: 714.03 g/mol
• Exact Mass: 713.43
• IUPAC Name: tert-butyl N-[8-[di(butan-2-yl)-propan-2-ylsilyl]oxy-9-methyl-7-(naphthalen-1-ylmethyl)-2-oxo-1,5-dioxonan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
• SMILES: CCC(C)[Si](OC1C(Cc2cccc3ccccc23)COCC(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC1C)(C(C)C)C(C)CC
• InChI: InChI=1S/C40H63NO8Si/c1-14-27(5)50(26(3)4,28(6)15-2)49-35-29(7)46-36(42)34(41(37(43)47-39(8,9)10)38(44)48-40(11,12)13)25-45-24-32(35)23-31-21-18-20-30-19-16-17-22-33(30)31/h16-22,26-29,32,34-35H,14-15,23-25H2,1-13H3
• InChIKey: CPJOBOVRKYKNNP-UHFFFAOYSA-N
• XLogP: 9.84
• TPSA: 100.60 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.03
LogP ≤ 5	9.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[8-[di(butan-2-yl)-propan-2-ylsilyl]oxy-9-methyl-7-(naphthalen-1-ylmethyl)-2-oxo-1,5-dioxonan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The IUPAC name of tert-butyl N-[8-[di(butan-2-yl)-propan-2-ylsilyl]oxy-9-methyl-7-(naphthalen-1-ylmethyl)-2-oxo-1,5-dioxonan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 123810021) is tert-butyl N-[8-[di(butan-2-yl)-propan-2-ylsilyl]oxy-9-methyl-7-(naphthalen-1-ylmethyl)-2-oxo-1,5-dioxonan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

What is the SMILES notation for tert-butyl N-[8-[di(butan-2-yl)-propan-2-ylsilyl]oxy-9-methyl-7-(naphthalen-1-ylmethyl)-2-oxo-1,5-dioxonan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The canonical SMILES for tert-butyl N-[8-[di(butan-2-yl)-propan-2-ylsilyl]oxy-9-methyl-7-(naphthalen-1-ylmethyl)-2-oxo-1,5-dioxonan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CCC(C)[Si](OC1C(Cc2cccc3ccccc23)COCC(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC1C)(C(C)C)C(C)CC.

What is the InChIKey of tert-butyl N-[8-[di(butan-2-yl)-propan-2-ylsilyl]oxy-9-methyl-7-(naphthalen-1-ylmethyl)-2-oxo-1,5-dioxonan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The InChIKey is CPJOBOVRKYKNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H63NO8Si/c1-14-27(5)50(26(3)4,28(6)15-2)49-35-29(7)46-36(42)34(41(37(43)47-39(8,9)10)38(44)48-40(11,12)13)25-45-24-32(35)23-31-21-18-20-30-19-16-17-22-33(30)31/h16-22,26-29,32,34-35H,14-15,23-25H2,1-13H3.

What are the key properties of tert-butyl N-[8-[di(butan-2-yl)-propan-2-ylsilyl]oxy-9-methyl-7-(naphthalen-1-ylmethyl)-2-oxo-1,5-dioxonan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

tert-butyl N-[8-[di(butan-2-yl)-propan-2-ylsilyl]oxy-9-methyl-7-(naphthalen-1-ylmethyl)-2-oxo-1,5-dioxonan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 714.03 g/mol, XLogP of 9.84, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[8-[di(butan-2-yl)-propan-2-ylsilyl]oxy-9-methyl-7-(naphthalen-1-ylmethyl)-2-oxo-1,5-dioxonan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 123810021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).