[(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyoxan-4-yl] imidazole-1-carboxylate

C23H34N2O5Si — CID 139966575

IUPAC[(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyoxan-4-yl] imidazole-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OCC[C@@H](OC(=O)n2ccnc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C23H34N2O5Si/c1-23(2,3)31(4,5)29-16-20-21(28-15-18-9-7-6-8-10-18)19(11-14-27-20)30-22(26)25-13-12-24-17-25/h6-10,12-13,17,19-21H,11,14-16H2,1-5H3/t19-,20-,21+/m1/s1
InChIKeyHZWKJKYPLBDQAZ-NJYVYQBISA-N
MW446.62 g/mol
LogP4.63
Rot. Bonds7

About [(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyoxan-4-yl] imidazole-1-carboxylate

[(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyoxan-4-yl] imidazole-1-carboxylate (PubChem CID 139966575) has the molecular formula C23H34N2O5Si and a molecular weight of 446.62 g/mol. Its IUPAC name is [(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyoxan-4-yl] imidazole-1-carboxylate.

Molecular Properties

Compound Name[(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyoxan-4-yl] imidazole-1-carboxylate
PubChem CID139966575
Molecular FormulaC23H34N2O5Si
Molecular Weight446.62 g/mol
Exact Mass446.22
IUPAC Name[(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyoxan-4-yl] imidazole-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OCC[C@@H](OC(=O)n2ccnc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C23H34N2O5Si/c1-23(2,3)31(4,5)29-16-20-21(28-15-18-9-7-6-8-10-18)19(11-14-27-20)30-22(26)25-13-12-24-17-25/h6-10,12-13,17,19-21H,11,14-16H2,1-5H3/t19-,20-,21+/m1/s1
InChIKeyHZWKJKYPLBDQAZ-NJYVYQBISA-N
XLogP4.63
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.62
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 16688925
benzene;3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 171558653
(3S,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
CID 91067670
2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxypyrrolidine-1-carboxylic acid
CID 123486303
2-[[(2R,3S,4R)-4-[carboxy(deuterio)methoxy]-3-phenylmethoxyoxan-2-yl]methoxy]-2-deuterioacetic acid
CID 139966608
[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylmethoxyaziridin-2-yl]methyl acetate
CID 101002260
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-heptakis[[tert-butyl(dimethyl)silyl]oxymethyl]-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol
CID 10261037
(1R,2S,3S,4R,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methylamino)-4,5,6-tris(phenylmethoxy)cyclohexan-1-ol
CID 44543169
(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol
CID 58292429
tert-butyl-[[(3S,4S)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane
CID 158326767
[(2R,3S,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4-methylphenyl)sulfanyl-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 73293533
benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate
CID 142754448

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyoxan-4-yl] imidazole-1-carboxylate?
The IUPAC name of [(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyoxan-4-yl] imidazole-1-carboxylate (CID 139966575) is [(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyoxan-4-yl] imidazole-1-carboxylate.
What is the SMILES notation for [(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyoxan-4-yl] imidazole-1-carboxylate?
The canonical SMILES for [(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyoxan-4-yl] imidazole-1-carboxylate is CC(C)(C)[Si](C)(C)OC[C@H]1OCC[C@@H](OC(=O)n2ccnc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of [(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyoxan-4-yl] imidazole-1-carboxylate?
The InChIKey is HZWKJKYPLBDQAZ-NJYVYQBISA-N. The full InChI is InChI=1S/C23H34N2O5Si/c1-23(2,3)31(4,5)29-16-20-21(28-15-18-9-7-6-8-10-18)19(11-14-27-20)30-22(26)25-13-12-24-17-25/h6-10,12-13,17,19-21H,11,14-16H2,1-5H3/t19-,20-,21+/m1/s1.
What are the key properties of [(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyoxan-4-yl] imidazole-1-carboxylate?
[(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyoxan-4-yl] imidazole-1-carboxylate has a molecular weight of 446.62 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyoxan-4-yl] imidazole-1-carboxylate is sourced from PubChem (CID 139966575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).