[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate

C14H26O4Si — CID 101338436

IUPAC[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
SMILESCC(=O)O[C@H]1C=CO[C@@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O4Si/c1-10-13(18-19(6,7)14(3,4)5)12(8-9-16-10)17-11(2)15/h8-10,12-13H,1-7H3/t10-,12-,13-/m0/s1
InChIKeyFIJIOAXHSCFJOI-DRZSPHRISA-N
MW286.44 g/mol
LogP3.24
Rot. Bonds3

About [(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate

[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate (PubChem CID 101338436) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is [(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate.

Molecular Properties

Compound Name[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
PubChem CID101338436
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
SMILESCC(=O)O[C@H]1C=CO[C@@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O4Si/c1-10-13(18-19(6,7)14(3,4)5)12(8-9-16-10)17-11(2)15/h8-10,12-13H,1-7H3/t10-,12-,13-/m0/s1
InChIKeyFIJIOAXHSCFJOI-DRZSPHRISA-N
XLogP3.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

L-arabino-Hex-1-enitol, 1,5-anhydro-2,6-dideoxy-, diacetate
CID 2734733
1,5-Dianhydro-2,6-dideoxy-L-arabino-hex-1-enitol diacetate
CID 118189
[(2R,3R,4R)-3-acetyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
CID 16213682
3,4-di-acetyl-6-O-(tert-butyldimethylsilyl)-D-Galactal
CID 10450207
AC1Lele9
CID 688127
D-Rhamnal diacetate
CID 927672
di-O-acetyl-6-deoxy-d-galactal
CID 11745967
Di-O-acetyl-L-rhamnal
CID 12816773
D-arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-6-O-[(1,1-dimethylethyl)dimethylsilyl]-, 3,4-diacetate
CID 11405211
[(3R,4S)-3-acetoxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
CID 126455777
[(2R,3S,4R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 10450206
[(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] acetate
CID 11348035

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate?
The IUPAC name of [(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate (CID 101338436) is [(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate.
What is the SMILES notation for [(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate?
The canonical SMILES for [(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate is CC(=O)O[C@H]1C=CO[C@@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate?
The InChIKey is FIJIOAXHSCFJOI-DRZSPHRISA-N. The full InChI is InChI=1S/C14H26O4Si/c1-10-13(18-19(6,7)14(3,4)5)12(8-9-16-10)17-11(2)15/h8-10,12-13H,1-7H3/t10-,12-,13-/m0/s1.
What are the key properties of [(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate?
[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate has a molecular weight of 286.44 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate is sourced from PubChem (CID 101338436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).