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

C34H45NO2Si — CID 11489409

IUPAC(6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-[(9-phenylfluoren-9-yl)amino]heptan-3-one
SMILESCC(C)(C)C(=O)CC[C@@H](CO[Si](C)(C)C(C)(C)C)NC1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=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
InChIKeyDNUCNLCTWRKTGG-SANMLTNESA-N
MW527.83 g/mol
LogP8.33
Rot. Bonds9

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 CID11489409
Molecular FormulaC34H45NO2Si
Molecular Weight527.83 g/mol
Exact Mass527.32
IUPAC Name(6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-[(9-phenylfluoren-9-yl)amino]heptan-3-one
SMILESCC(C)(C)C(=O)CC[C@@H](CO[Si](C)(C)C(C)(C)C)NC1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=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
InChIKeyDNUCNLCTWRKTGG-SANMLTNESA-N
XLogP8.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.83
LogP ≤ 58.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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).