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

C14H29NO3Si — CID 11162011

IUPAC(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethoxy-3,6-dihydro-2H-pyran-3-amine
SMILESCCO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=C[C@H]1N
InChIInChI=1S/C14H29NO3Si/c1-7-16-13-12(15)9-8-11(18-13)10-17-19(5,6)14(2,3)4/h8-9,11-13H,7,10,15H2,1-6H3/t11-,12+,13-/m0/s1
InChIKeyNJQJAZXGCZOPCX-XQQFMLRXSA-N
MW287.48 g/mol
LogP2.65
Rot. Bonds5

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

(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethoxy-3,6-dihydro-2H-pyran-3-amine (PubChem CID 11162011) has the molecular formula C14H29NO3Si and a molecular weight of 287.48 g/mol. Its IUPAC name is (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethoxy-3,6-dihydro-2H-pyran-3-amine.

Molecular Properties

Compound Name(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethoxy-3,6-dihydro-2H-pyran-3-amine
PubChem CID11162011
Molecular FormulaC14H29NO3Si
Molecular Weight287.48 g/mol
Exact Mass287.19
IUPAC Name(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethoxy-3,6-dihydro-2H-pyran-3-amine
SMILESCCO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=C[C@H]1N
InChIInChI=1S/C14H29NO3Si/c1-7-16-13-12(15)9-8-11(18-13)10-17-19(5,6)14(2,3)4/h8-9,11-13H,7,10,15H2,1-6H3/t11-,12+,13-/m0/s1
InChIKeyNJQJAZXGCZOPCX-XQQFMLRXSA-N
XLogP2.65
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.48
LogP ≤ 52.65
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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Related Compounds

(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 11748235
(1R)-1-[(2S,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol
CID 122393359
tert-butyl-[[(2S)-6-ethoxyoxan-2-yl]methoxy]-dimethylsilane
CID 139257646
trans-(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropan-1-amine
CID 15042667
tert-butyl-[[(1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-dimethylsilane
CID 11176597
[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-tert-butyl-dimethylsilane
CID 11436362
tert-butyl-[[(2R,6R)-2-[[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3,6-dihydro-2H-pyran-2-yl]methyl]-4-methyl-3,6-dihydro-2H-pyran-6-yl]methoxy]-dimethylsilane
CID 134979961
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-amine
CID 170953372
[(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10645072
[(2R,3R,6R)-3-(1,3-benzothiazol-2-ylsulfanyl)-2-methoxy-3,6-dihydro-2H-pyran-6-yl]methoxy-tert-butyl-dimethylsilane
CID 102267779
[(2R,3S,6R,7S)-6-acetyloxy-2,7-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7-tetrahydrooxepin-3-yl] acetate
CID 11755802
1-[(2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 57150410

Frequently Asked Questions

What is the IUPAC name of (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethoxy-3,6-dihydro-2H-pyran-3-amine?
The IUPAC name of (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethoxy-3,6-dihydro-2H-pyran-3-amine (CID 11162011) is (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethoxy-3,6-dihydro-2H-pyran-3-amine.
What is the SMILES notation for (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethoxy-3,6-dihydro-2H-pyran-3-amine?
The canonical SMILES for (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethoxy-3,6-dihydro-2H-pyran-3-amine is CCO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=C[C@H]1N.
What is the InChIKey of (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethoxy-3,6-dihydro-2H-pyran-3-amine?
The InChIKey is NJQJAZXGCZOPCX-XQQFMLRXSA-N. The full InChI is InChI=1S/C14H29NO3Si/c1-7-16-13-12(15)9-8-11(18-13)10-17-19(5,6)14(2,3)4/h8-9,11-13H,7,10,15H2,1-6H3/t11-,12+,13-/m0/s1.
What are the key properties of (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethoxy-3,6-dihydro-2H-pyran-3-amine?
(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethoxy-3,6-dihydro-2H-pyran-3-amine has a molecular weight of 287.48 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethoxy-3,6-dihydro-2H-pyran-3-amine is sourced from PubChem (CID 11162011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).