(6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-[(9-phenylfluoren-9-yl)amino]heptan-3-one

C34H45NO2Si — CID 11489409

About (6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-[(9-phenylfluoren-9-yl)amino]heptan-3-one

(6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-[(9-phenylfluoren-9-yl)amino]heptan-3-one (PubChem CID 11489409) has the molecular formula C34H45NO2Si and a molecular weight of 527.83 g/mol. Its IUPAC name is (6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-[(9-phenylfluoren-9-yl)amino]heptan-3-one.

Molecular Properties

• Compound Name: (6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-[(9-phenylfluoren-9-yl)amino]heptan-3-one
• PubChem CID: 11489409
• Molecular Formula: C34H45NO2Si
• Molecular Weight: 527.83 g/mol
• Exact Mass: 527.32
• IUPAC Name: (6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-[(9-phenylfluoren-9-yl)amino]heptan-3-one
• SMILES: CC(C)(C)C(=O)CC[C@@H](CO[Si](C)(C)C(C)(C)C)NC1(c2ccccc2)c2ccccc2-c2ccccc21
• InChI: InChI=1S/C34H45NO2Si/c1-32(2,3)31(36)23-22-26(24-37-38(7,8)33(4,5)6)35-34(25-16-10-9-11-17-25)29-20-14-12-18-27(29)28-19-13-15-21-30(28)34/h9-21,26,35H,22-24H2,1-8H3/t26-/m0/s1
• InChIKey: DNUCNLCTWRKTGG-SANMLTNESA-N
• XLogP: 8.33
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.83
LogP ≤ 5	8.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-[(9-phenylfluoren-9-yl)amino]heptan-3-one?

The IUPAC name of (6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-[(9-phenylfluoren-9-yl)amino]heptan-3-one (CID 11489409) is (6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-[(9-phenylfluoren-9-yl)amino]heptan-3-one.

What is the SMILES notation for (6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-[(9-phenylfluoren-9-yl)amino]heptan-3-one?

The canonical SMILES for (6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-[(9-phenylfluoren-9-yl)amino]heptan-3-one is CC(C)(C)C(=O)CC[C@@H](CO[Si](C)(C)C(C)(C)C)NC1(c2ccccc2)c2ccccc2-c2ccccc21.

What is the InChIKey of (6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-[(9-phenylfluoren-9-yl)amino]heptan-3-one?

The InChIKey is DNUCNLCTWRKTGG-SANMLTNESA-N. The full InChI is InChI=1S/C34H45NO2Si/c1-32(2,3)31(36)23-22-26(24-37-38(7,8)33(4,5)6)35-34(25-16-10-9-11-17-25)29-20-14-12-18-27(29)28-19-13-15-21-30(28)34/h9-21,26,35H,22-24H2,1-8H3/t26-/m0/s1.

What are the key properties of (6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-[(9-phenylfluoren-9-yl)amino]heptan-3-one?

(6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-[(9-phenylfluoren-9-yl)amino]heptan-3-one has a molecular weight of 527.83 g/mol, XLogP of 8.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-[(9-phenylfluoren-9-yl)amino]heptan-3-one is sourced from PubChem (CID 11489409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).