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

C27H38N2O5Si — CID 11283404

IUPACdibenzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CCCN(C(=O)OCc2ccccc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C27H38N2O5Si/c1-27(2,3)35(4,5)34-21-24-17-12-18-28(25(30)32-19-22-13-8-6-9-14-22)29(24)26(31)33-20-23-15-10-7-11-16-23/h6-11,13-16,24H,12,17-21H2,1-5H3/t24-/m1/s1
InChIKeyGATCPDKFWHQSNB-XMMPIXPASA-N
MW498.70 g/mol
LogP6.36
Rot. Bonds7

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

dibenzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate (PubChem CID 11283404) has the molecular formula C27H38N2O5Si and a molecular weight of 498.70 g/mol. Its IUPAC name is dibenzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate.

Molecular Properties

Compound Namedibenzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate
PubChem CID11283404
Molecular FormulaC27H38N2O5Si
Molecular Weight498.70 g/mol
Exact Mass498.25
IUPAC Namedibenzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CCCN(C(=O)OCc2ccccc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C27H38N2O5Si/c1-27(2,3)35(4,5)34-21-24-17-12-18-28(25(30)32-19-22-13-8-6-9-14-22)29(24)26(31)33-20-23-15-10-7-11-16-23/h6-11,13-16,24H,12,17-21H2,1-5H3/t24-/m1/s1
InChIKeyGATCPDKFWHQSNB-XMMPIXPASA-N
XLogP6.36
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.70
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trans (+/-) Benzyl benzyl[1-(2-{[tert-butyl(dimethyl)silyl]oxy}ethyl)-3-fluoropiperidin-4-yl]carbamate
CID 60200121
benzyl N-benzyl-N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropiperidin-4-yl]carbamate
CID 68611831
benzyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-fluorohept-6-en-2-yl]-N-(3-methylbutyl)carbamate
CID 89934016
benzyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-fluoroheptan-2-yl]-N-(3-methylbutyl)carbamate
CID 89934017
benzyl N-benzyl-N-[(3S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropiperidin-4-yl]carbamate
CID 91206882
Cis(+/-) benzyl benzyl[1-(2-{[tert-butyl(dimethyl)silyl]oxy}ethyl)-3-fluoropiperidin-4-yl]carbamate
CID 131739675
1-O-benzyl 2-O-tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate
CID 11070637
(S)-1,2-Bis((benzyloxy)carbonyl)hexahydropyridazine-3-carboxylic acid
CID 11188710
(3R)-1,2-bis(phenylmethoxycarbonyl)diazinane-3-carboxylic acid
CID 11440915
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

Frequently Asked Questions

What is the IUPAC name of dibenzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate?
The IUPAC name of dibenzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate (CID 11283404) is dibenzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate.
What is the SMILES notation for dibenzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate?
The canonical SMILES for dibenzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate is CC(C)(C)[Si](C)(C)OC[C@H]1CCCN(C(=O)OCc2ccccc2)N1C(=O)OCc1ccccc1.
What is the InChIKey of dibenzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate?
The InChIKey is GATCPDKFWHQSNB-XMMPIXPASA-N. The full InChI is InChI=1S/C27H38N2O5Si/c1-27(2,3)35(4,5)34-21-24-17-12-18-28(25(30)32-19-22-13-8-6-9-14-22)29(24)26(31)33-20-23-15-10-7-11-16-23/h6-11,13-16,24H,12,17-21H2,1-5H3/t24-/m1/s1.
What are the key properties of dibenzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate?
dibenzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate has a molecular weight of 498.70 g/mol, XLogP of 6.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate is sourced from PubChem (CID 11283404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).