[(E,2R)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamic acid

C30H39NO3Si — CID 142626458

About [(E,2R)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamic acid

[(E,2R)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamic acid (PubChem CID 142626458) has the molecular formula C30H39NO3Si and a molecular weight of 489.73 g/mol. Its IUPAC name is [(E,2R)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [(E,2R)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamic acid
• PubChem CID: 142626458
• Molecular Formula: C30H39NO3Si
• Molecular Weight: 489.73 g/mol
• Exact Mass: 489.27
• IUPAC Name: [(E,2R)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamic acid
• SMILES: CC(C)(C)[Si](C)(C)OCC(/C=C/[C@@H](Cc1ccc2ccccc2c1)NC(=O)O)Cc1ccccc1
• InChI: InChI=1S/C30H39NO3Si/c1-30(2,3)35(4,5)34-22-25(19-23-11-7-6-8-12-23)16-18-28(31-29(32)33)21-24-15-17-26-13-9-10-14-27(26)20-24/h6-18,20,25,28,31H,19,21-22H2,1-5H3,(H,32,33)/b18-16+/t25?,28-/m0/s1
• InChIKey: OBOLCTZXRMFFQD-BDSJWDMDSA-N
• XLogP: 7.46
• TPSA: 58.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.73
LogP ≤ 5	7.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(E,2R)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamic acid?

The IUPAC name of [(E,2R)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamic acid (CID 142626458) is [(E,2R)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamic acid.

What is the SMILES notation for [(E,2R)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamic acid?

The canonical SMILES for [(E,2R)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamic acid is CC(C)(C)[Si](C)(C)OCC(/C=C/[C@@H](Cc1ccc2ccccc2c1)NC(=O)O)Cc1ccccc1.

What is the InChIKey of [(E,2R)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamic acid?

The InChIKey is OBOLCTZXRMFFQD-BDSJWDMDSA-N. The full InChI is InChI=1S/C30H39NO3Si/c1-30(2,3)35(4,5)34-22-25(19-23-11-7-6-8-12-23)16-18-28(31-29(32)33)21-24-15-17-26-13-9-10-14-27(26)20-24/h6-18,20,25,28,31H,19,21-22H2,1-5H3,(H,32,33)/b18-16+/t25?,28-/m0/s1.

What are the key properties of [(E,2R)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamic acid?

[(E,2R)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamic acid has a molecular weight of 489.73 g/mol, XLogP of 7.46, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(E,2R)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamic acid is sourced from PubChem (CID 142626458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).