[(2R,3R,6R)-3-acetyloxy-6-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate

C19H32O5Si — CID 101143419

IUPAC[(2R,3R,6R)-3-acetyloxy-6-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESC=C(C[C@@H]1C=C[C@@H](OC(C)=O)[C@@H](COC(C)=O)O1)[Si](CC)(CC)CC
InChIInChI=1S/C19H32O5Si/c1-7-25(8-2,9-3)14(4)12-17-10-11-18(23-16(6)21)19(24-17)13-22-15(5)20/h10-11,17-19H,4,7-9,12-13H2,1-3,5-6H3/t17-,18+,19+/m0/s1
InChIKeyLPJRHQJAZFQOIK-IPMKNSEASA-N
MW368.55 g/mol
LogP3.80
Rot. Bonds9

About [(2R,3R,6R)-3-acetyloxy-6-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate

[(2R,3R,6R)-3-acetyloxy-6-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate (PubChem CID 101143419) has the molecular formula C19H32O5Si and a molecular weight of 368.55 g/mol. Its IUPAC name is [(2R,3R,6R)-3-acetyloxy-6-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,6R)-3-acetyloxy-6-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
PubChem CID101143419
Molecular FormulaC19H32O5Si
Molecular Weight368.55 g/mol
Exact Mass368.20
IUPAC Name[(2R,3R,6R)-3-acetyloxy-6-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESC=C(C[C@@H]1C=C[C@@H](OC(C)=O)[C@@H](COC(C)=O)O1)[Si](CC)(CC)CC
InChIInChI=1S/C19H32O5Si/c1-7-25(8-2,9-3)14(4)12-17-10-11-18(23-16(6)21)19(24-17)13-22-15(5)20/h10-11,17-19H,4,7-9,12-13H2,1-3,5-6H3/t17-,18+,19+/m0/s1
InChIKeyLPJRHQJAZFQOIK-IPMKNSEASA-N
XLogP3.80
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.80
H-Bond Donors ≤ 50
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,6R)-3-acetyloxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 11807214
[(2R,3R,6S)-3-acetyloxy-6-propa-1,2-dienyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 21597506
[(2R,3R)-3-acetyloxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 101175371
[(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dienyl] acetate
CID 134971110
[(2R,3S,6S)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 10892295
1,5-Anhydro-2,3-dideoxy-D-erythro-hex-2-enitol 4,6-Diacetate
CID 11481302
(3-acetyloxy-6-methyl-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 14762623
[(2R,3S)-3-acetyloxy-6-methyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 14762624
(3-Acetoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 14062907
[(2R,3S)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 6917455
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10220446
[(2R,3R,6R)-3-acetyloxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 10912070

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,6R)-3-acetyloxy-6-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,6R)-3-acetyloxy-6-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate (CID 101143419) is [(2R,3R,6R)-3-acetyloxy-6-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,6R)-3-acetyloxy-6-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,6R)-3-acetyloxy-6-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate is C=C(C[C@@H]1C=C[C@@H](OC(C)=O)[C@@H](COC(C)=O)O1)[Si](CC)(CC)CC.
What is the InChIKey of [(2R,3R,6R)-3-acetyloxy-6-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The InChIKey is LPJRHQJAZFQOIK-IPMKNSEASA-N. The full InChI is InChI=1S/C19H32O5Si/c1-7-25(8-2,9-3)14(4)12-17-10-11-18(23-16(6)21)19(24-17)13-22-15(5)20/h10-11,17-19H,4,7-9,12-13H2,1-3,5-6H3/t17-,18+,19+/m0/s1.
What are the key properties of [(2R,3R,6R)-3-acetyloxy-6-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
[(2R,3R,6R)-3-acetyloxy-6-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate has a molecular weight of 368.55 g/mol, XLogP of 3.80, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,6R)-3-acetyloxy-6-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate is sourced from PubChem (CID 101143419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).