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

C13H25NO4Si — CID 101213229

IUPAC[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] carbamate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OCC=C[C@@H]1OC(N)=O
InChIInChI=1S/C13H25NO4Si/c1-13(2,3)19(4,5)17-9-11-10(18-12(14)15)7-6-8-16-11/h6-7,10-11H,8-9H2,1-5H3,(H2,14,15)/t10-,11+/m0/s1
InChIKeyALQBVIWFNOAXGQ-WDEREUQCSA-N
MW287.43 g/mol
LogP2.43
Rot. Bonds4

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

[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] carbamate (PubChem CID 101213229) has the molecular formula C13H25NO4Si and a molecular weight of 287.43 g/mol. Its IUPAC name is [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] carbamate.

Molecular Properties

Compound Name[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] carbamate
PubChem CID101213229
Molecular FormulaC13H25NO4Si
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] carbamate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OCC=C[C@@H]1OC(N)=O
InChIInChI=1S/C13H25NO4Si/c1-13(2,3)19(4,5)17-9-11-10(18-12(14)15)7-6-8-16-11/h6-7,10-11H,8-9H2,1-5H3,(H2,14,15)/t10-,11+/m0/s1
InChIKeyALQBVIWFNOAXGQ-WDEREUQCSA-N
XLogP2.43
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] carbamate?
The IUPAC name of [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] carbamate (CID 101213229) is [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] carbamate.
What is the SMILES notation for [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] carbamate?
The canonical SMILES for [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] carbamate is CC(C)(C)[Si](C)(C)OC[C@H]1OCC=C[C@@H]1OC(N)=O.
What is the InChIKey of [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] carbamate?
The InChIKey is ALQBVIWFNOAXGQ-WDEREUQCSA-N. The full InChI is InChI=1S/C13H25NO4Si/c1-13(2,3)19(4,5)17-9-11-10(18-12(14)15)7-6-8-16-11/h6-7,10-11H,8-9H2,1-5H3,(H2,14,15)/t10-,11+/m0/s1.
What are the key properties of [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] carbamate?
[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] carbamate has a molecular weight of 287.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl] carbamate is sourced from PubChem (CID 101213229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).