[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-3-yl] carbamate

C20H31NO5Si — CID 101107113

IUPAC[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-3-yl] carbamate
SMILESCOc1ccc([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)C=C[C@H]2OC(N)=O)cc1
InChIInChI=1S/C20H31NO5Si/c1-20(2,3)27(5,6)24-13-16-11-12-17(26-19(21)22)18(25-16)14-7-9-15(23-4)10-8-14/h7-12,16-18H,13H2,1-6H3,(H2,21,22)/t16-,17+,18+/m0/s1
InChIKeyAIDXGQWEEJEGRU-RCCFBDPRSA-N
MW393.56 g/mol
LogP4.18
Rot. Bonds6

About [(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-3-yl] carbamate

[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-3-yl] carbamate (PubChem CID 101107113) has the molecular formula C20H31NO5Si and a molecular weight of 393.56 g/mol. Its IUPAC name is [(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-3-yl] carbamate.

Molecular Properties

Compound Name[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-3-yl] carbamate
PubChem CID101107113
Molecular FormulaC20H31NO5Si
Molecular Weight393.56 g/mol
Exact Mass393.20
IUPAC Name[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-3-yl] carbamate
SMILESCOc1ccc([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)C=C[C@H]2OC(N)=O)cc1
InChIInChI=1S/C20H31NO5Si/c1-20(2,3)27(5,6)24-13-16-11-12-17(26-19(21)22)18(25-16)14-7-9-15(23-4)10-8-14/h7-12,16-18H,13H2,1-6H3,(H2,21,22)/t16-,17+,18+/m0/s1
InChIKeyAIDXGQWEEJEGRU-RCCFBDPRSA-N
XLogP4.18
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxylate
CID 102389723
[(2R,3S,6R)-3-acetyloxy-6-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 11404409
[(2R,3R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 102420199
[(2R,3S,6S)-3-acetyloxy-6-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 86697578
[(2R,3S,6R,7S)-6-acetyloxy-2,7-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7-tetrahydrooxepin-3-yl] acetate
CID 11755802
tert-butyl (2S,3S)-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 15315317
tert-butyl (2R,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 135529667
3-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 131843624
(2R,3S)-3-(4-methoxyphenyl)-N-methyloxirane-2-carboxamide
CID 57212777
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2S,3R,4S,5S)-5-acetyloxy-2-(4-methoxyphenoxy)-4-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxyoxan-2-yl]methyl acetate
CID 101443486
(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 11221261
[(2R,3S,6R)-3-acetyloxy-6-(4-methoxyphenoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 10936603

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-3-yl] carbamate?
The IUPAC name of [(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-3-yl] carbamate (CID 101107113) is [(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-3-yl] carbamate.
What is the SMILES notation for [(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-3-yl] carbamate?
The canonical SMILES for [(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-3-yl] carbamate is COc1ccc([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)C=C[C@H]2OC(N)=O)cc1.
What is the InChIKey of [(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-3-yl] carbamate?
The InChIKey is AIDXGQWEEJEGRU-RCCFBDPRSA-N. The full InChI is InChI=1S/C20H31NO5Si/c1-20(2,3)27(5,6)24-13-16-11-12-17(26-19(21)22)18(25-16)14-7-9-15(23-4)10-8-14/h7-12,16-18H,13H2,1-6H3,(H2,21,22)/t16-,17+,18+/m0/s1.
What are the key properties of [(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-3-yl] carbamate?
[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-3-yl] carbamate has a molecular weight of 393.56 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-3-yl] carbamate is sourced from PubChem (CID 101107113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).