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

C16H31NO5Si — CID 11078492

IUPAC[(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate
SMILESCC(C)O[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=C[C@H]1OC(N)=O
InChIInChI=1S/C16H31NO5Si/c1-11(2)20-14-13(22-15(17)18)9-8-12(21-14)10-19-23(6,7)16(3,4)5/h8-9,11-14H,10H2,1-7H3,(H2,17,18)/t12-,13+,14-/m0/s1
InChIKeySCCWYCUNGCXLHN-MJBXVCDLSA-N
MW345.51 g/mol
LogP3.18
Rot. Bonds6

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

[(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate (PubChem CID 11078492) has the molecular formula C16H31NO5Si and a molecular weight of 345.51 g/mol. Its IUPAC name is [(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate.

Molecular Properties

Compound Name[(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate
PubChem CID11078492
Molecular FormulaC16H31NO5Si
Molecular Weight345.51 g/mol
Exact Mass345.20
IUPAC Name[(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate
SMILESCC(C)O[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=C[C@H]1OC(N)=O
InChIInChI=1S/C16H31NO5Si/c1-11(2)20-14-13(22-15(17)18)9-8-12(21-14)10-19-23(6,7)16(3,4)5/h8-9,11-14H,10H2,1-7H3,(H2,17,18)/t12-,13+,14-/m0/s1
InChIKeySCCWYCUNGCXLHN-MJBXVCDLSA-N
XLogP3.18
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 53.18
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

[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 11791894
[(2R,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 12193236
[(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 102526053
[(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 102526055
[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 134972339
[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] carbamate
CID 101213229
[2,2-Dimethyl-5-[4-tri(propan-2-yl)silylbuta-1,3-dienyl]-1,3-dioxan-5-yl] carbamate
CID 175605042
[(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] cyanate
CID 10496471
[(2S,3R,6R)-6-methyl-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate
CID 10536622
[(E,3R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-yl] carbamate
CID 11153009
[(E,3S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-yl] carbamate
CID 11303321
[(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] carbamate
CID 16202479

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate?
The IUPAC name of [(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate (CID 11078492) is [(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate.
What is the SMILES notation for [(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate?
The canonical SMILES for [(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate is CC(C)O[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=C[C@H]1OC(N)=O.
What is the InChIKey of [(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate?
The InChIKey is SCCWYCUNGCXLHN-MJBXVCDLSA-N. The full InChI is InChI=1S/C16H31NO5Si/c1-11(2)20-14-13(22-15(17)18)9-8-12(21-14)10-19-23(6,7)16(3,4)5/h8-9,11-14H,10H2,1-7H3,(H2,17,18)/t12-,13+,14-/m0/s1.
What are the key properties of [(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate?
[(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate has a molecular weight of 345.51 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate is sourced from PubChem (CID 11078492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).