[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl (1Z)-N-phenylmethoxycarbonylethanimidate

C22H35NO5Si — CID 146164142

IUPAC[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl (1Z)-N-phenylmethoxycarbonylethanimidate
SMILESC/C(=N/C(=O)OCc1ccccc1)OC[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H35NO5Si/c1-17(23-21(24)27-15-18-11-8-7-9-12-18)26-16-20-19(13-10-14-25-20)28-29(5,6)22(2,3)4/h7-9,11-12,19-20H,10,13-16H2,1-6H3/b23-17-/t19-,20+/m0/s1
InChIKeyPYCJWJLQAHYGDS-BJRMTCSXSA-N
MW421.61 g/mol
LogP5.33
Rot. Bonds6

About [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl (1Z)-N-phenylmethoxycarbonylethanimidate

[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl (1Z)-N-phenylmethoxycarbonylethanimidate (PubChem CID 146164142) has the molecular formula C22H35NO5Si and a molecular weight of 421.61 g/mol. Its IUPAC name is [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl (1Z)-N-phenylmethoxycarbonylethanimidate.

Molecular Properties

Compound Name[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl (1Z)-N-phenylmethoxycarbonylethanimidate
PubChem CID146164142
Molecular FormulaC22H35NO5Si
Molecular Weight421.61 g/mol
Exact Mass421.23
IUPAC Name[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl (1Z)-N-phenylmethoxycarbonylethanimidate
SMILESC/C(=N/C(=O)OCc1ccccc1)OC[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H35NO5Si/c1-17(23-21(24)27-15-18-11-8-7-9-12-18)26-16-20-19(13-10-14-25-20)28-29(5,6)22(2,3)4/h7-9,11-12,19-20H,10,13-16H2,1-6H3/b23-17-/t19-,20+/m0/s1
InChIKeyPYCJWJLQAHYGDS-BJRMTCSXSA-N
XLogP5.33
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.61
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl (1Z)-N-phenylmethoxycarbonylethanimidate 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

(3S)-3-bromo-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-4-phenylmethoxybutan-2-one
CID 100947243
benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylate
CID 11036265
[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl 4-methylbenzenesulfonate
CID 11269588
[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate
CID 177439885
[(2R,3S)-2-[[3-(benzenesulfonyl)oxiran-2-yl]methyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane
CID 102288079
(3S)-2-[2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]ethynyl]-3-phenylmethoxyoxan-2-ol
CID 10503562
benzyl N-[(1S,2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylcyclopentyl]carbamate
CID 10918212
benzyl 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 160532130
(1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol
CID 10616882
benzyl (1R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate
CID 10436387
(2R,3R,4S,4aS,6R,7S,8aS)-6-[(4S,5R)-5-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-ol
CID 102325488
benzyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)piperidine-1-carboxylate
CID 101131554

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl (1Z)-N-phenylmethoxycarbonylethanimidate?
The IUPAC name of [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl (1Z)-N-phenylmethoxycarbonylethanimidate (CID 146164142) is [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl (1Z)-N-phenylmethoxycarbonylethanimidate.
What is the SMILES notation for [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl (1Z)-N-phenylmethoxycarbonylethanimidate?
The canonical SMILES for [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl (1Z)-N-phenylmethoxycarbonylethanimidate is C/C(=N/C(=O)OCc1ccccc1)OC[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl (1Z)-N-phenylmethoxycarbonylethanimidate?
The InChIKey is PYCJWJLQAHYGDS-BJRMTCSXSA-N. The full InChI is InChI=1S/C22H35NO5Si/c1-17(23-21(24)27-15-18-11-8-7-9-12-18)26-16-20-19(13-10-14-25-20)28-29(5,6)22(2,3)4/h7-9,11-12,19-20H,10,13-16H2,1-6H3/b23-17-/t19-,20+/m0/s1.
What are the key properties of [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl (1Z)-N-phenylmethoxycarbonylethanimidate?
[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl (1Z)-N-phenylmethoxycarbonylethanimidate has a molecular weight of 421.61 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl (1Z)-N-phenylmethoxycarbonylethanimidate is sourced from PubChem (CID 146164142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).