1-O-benzyl 2-O-tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate

C24H40N2O5Si — CID 11070637

IUPAC1-O-benzyl 2-O-tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](CO[Si](C)(C)C(C)(C)C)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C24H40N2O5Si/c1-23(2,3)31-22(28)26-20(18-30-32(7,8)24(4,5)6)15-12-16-25(26)21(27)29-17-19-13-10-9-11-14-19/h9-11,13-14,20H,12,15-18H2,1-8H3/t20-/m1/s1
InChIKeyGBZASNDLCFDXEX-HXUWFJFHSA-N
MW464.68 g/mol
LogP5.96
Rot. Bonds5

About 1-O-benzyl 2-O-tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate

1-O-benzyl 2-O-tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate (PubChem CID 11070637) has the molecular formula C24H40N2O5Si and a molecular weight of 464.68 g/mol. Its IUPAC name is 1-O-benzyl 2-O-tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-benzyl 2-O-tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate
PubChem CID11070637
Molecular FormulaC24H40N2O5Si
Molecular Weight464.68 g/mol
Exact Mass464.27
IUPAC Name1-O-benzyl 2-O-tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](CO[Si](C)(C)C(C)(C)C)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C24H40N2O5Si/c1-23(2,3)31-22(28)26-20(18-30-32(7,8)24(4,5)6)15-12-16-25(26)21(27)29-17-19-13-10-9-11-14-19/h9-11,13-14,20H,12,15-18H2,1-8H3/t20-/m1/s1
InChIKeyGBZASNDLCFDXEX-HXUWFJFHSA-N
XLogP5.96
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.68
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-O-benzyl 2-O-tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Benzyl 2-(tert-butyl) tetrahydro-1,2-pyridazinedicarboxylate
CID 21186018
BenZyl 4-[(t-butyldimethylsilyl)oxy]piperidine-1-carboxylate
CID 101381363
(2S,3R)-N-(Benzyloxycarbonyl)-6-vinyl-2-methyl-3-(triisopropylsiloxy)-1,2,3,4-tetrahydropyridine
CID 10741256
N-(Benzyloxycarbonyl)-6-vinyl-2-(triisopropylsiloxymethyl)-1,2,3,4-tetrahydropyridine
CID 10788725
dibenzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate
CID 11283404
benzyl N-[(2-methylpropan-2-yl)oxycarbonyl-pent-4-enylamino]-N-pent-4-enylcarbamate
CID 11429562
benzyl (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(iodomethyl)piperidine-1-carboxylate
CID 16202347
tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxymethyl)piperidine-1-carboxylate
CID 44179088
tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxypiperidine-1-carboxylate
CID 54598007
Benzyl 7-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate
CID 76027112
tert-butyl N-but-3-enyl-N-[pent-4-enyl(phenylmethoxycarbonyl)amino]carbamate
CID 101729557
(2R,5R,6S)-N-(Benzyloxycarbonyl)-2-(4-acetoxy-1-butynyl)-6-methyl-5-(triisopropylsiloxy)piperidine
CID 132427739

Frequently Asked Questions

What is the IUPAC name of 1-O-benzyl 2-O-tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate?
The IUPAC name of 1-O-benzyl 2-O-tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate (CID 11070637) is 1-O-benzyl 2-O-tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate.
What is the SMILES notation for 1-O-benzyl 2-O-tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate?
The canonical SMILES for 1-O-benzyl 2-O-tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate is CC(C)(C)OC(=O)N1[C@@H](CO[Si](C)(C)C(C)(C)C)CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of 1-O-benzyl 2-O-tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate?
The InChIKey is GBZASNDLCFDXEX-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H40N2O5Si/c1-23(2,3)31-22(28)26-20(18-30-32(7,8)24(4,5)6)15-12-16-25(26)21(27)29-17-19-13-10-9-11-14-19/h9-11,13-14,20H,12,15-18H2,1-8H3/t20-/m1/s1.
What are the key properties of 1-O-benzyl 2-O-tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate?
1-O-benzyl 2-O-tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate has a molecular weight of 464.68 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-benzyl 2-O-tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate is sourced from PubChem (CID 11070637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).