[(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylpropa-1,2-dienyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate

C16H24O5Si — CID 102355754

IUPAC[(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylpropa-1,2-dienyl)-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](C)(C)C
InChIInChI=1S/C16H24O5Si/c1-7-16(22(4,5)6)14-9-8-13(20-12(3)18)15(21-14)10-19-11(2)17/h8-9,13-15H,1,10H2,2-6H3/t13-,14-,15+/m0/s1
InChIKeyUXKCFUZFEBVRQN-SOUVJXGZSA-N
MW324.45 g/mol
LogP2.39
Rot. Bonds5

About [(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylpropa-1,2-dienyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate

[(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylpropa-1,2-dienyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate (PubChem CID 102355754) has the molecular formula C16H24O5Si and a molecular weight of 324.45 g/mol. Its IUPAC name is [(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylpropa-1,2-dienyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylpropa-1,2-dienyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
PubChem CID102355754
Molecular FormulaC16H24O5Si
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name[(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylpropa-1,2-dienyl)-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](C)(C)C
InChIInChI=1S/C16H24O5Si/c1-7-16(22(4,5)6)14-9-8-13(20-12(3)18)15(21-14)10-19-11(2)17/h8-9,13-15H,1,10H2,2-6H3/t13-,14-,15+/m0/s1
InChIKeyUXKCFUZFEBVRQN-SOUVJXGZSA-N
XLogP2.39
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.39
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'}

Analyze [(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylpropa-1,2-dienyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylpropa-1,2-dienyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylpropa-1,2-dienyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate (CID 102355754) is [(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylpropa-1,2-dienyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylpropa-1,2-dienyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylpropa-1,2-dienyl)-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](C)(C)C.
What is the InChIKey of [(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylpropa-1,2-dienyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The InChIKey is UXKCFUZFEBVRQN-SOUVJXGZSA-N. The full InChI is InChI=1S/C16H24O5Si/c1-7-16(22(4,5)6)14-9-8-13(20-12(3)18)15(21-14)10-19-11(2)17/h8-9,13-15H,1,10H2,2-6H3/t13-,14-,15+/m0/s1.
What are the key properties of [(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylpropa-1,2-dienyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
[(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylpropa-1,2-dienyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate has a molecular weight of 324.45 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylpropa-1,2-dienyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate is sourced from PubChem (CID 102355754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).