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

C17H26O5Si — CID 102573501

IUPAC[(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESC=C=C(C[Si](C)(C)C)[C@@H]1C=C[C@H](OC(C)=O)[C@@H](COC(C)=O)O1
InChIInChI=1S/C17H26O5Si/c1-7-14(11-23(4,5)6)15-8-9-16(21-13(3)19)17(22-15)10-20-12(2)18/h8-9,15-17H,1,10-11H2,2-6H3/t15-,16-,17+/m0/s1
InChIKeyLLVFEQWRWXOLMH-YESZJQIVSA-N
MW338.48 g/mol
LogP2.85
Rot. Bonds6

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

[(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate (PubChem CID 102573501) has the molecular formula C17H26O5Si and a molecular weight of 338.48 g/mol. Its IUPAC name is [(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
PubChem CID102573501
Molecular FormulaC17H26O5Si
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name[(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESC=C=C(C[Si](C)(C)C)[C@@H]1C=C[C@H](OC(C)=O)[C@@H](COC(C)=O)O1
InChIInChI=1S/C17H26O5Si/c1-7-14(11-23(4,5)6)15-8-9-16(21-13(3)19)17(22-15)10-20-12(2)18/h8-9,15-17H,1,10-11H2,2-6H3/t15-,16-,17+/m0/s1
InChIKeyLLVFEQWRWXOLMH-YESZJQIVSA-N
XLogP2.85
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.85
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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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate (CID 102573501) is [(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate is C=C=C(C[Si](C)(C)C)[C@@H]1C=C[C@H](OC(C)=O)[C@@H](COC(C)=O)O1.
What is the InChIKey of [(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The InChIKey is LLVFEQWRWXOLMH-YESZJQIVSA-N. The full InChI is InChI=1S/C17H26O5Si/c1-7-14(11-23(4,5)6)15-8-9-16(21-13(3)19)17(22-15)10-20-12(2)18/h8-9,15-17H,1,10-11H2,2-6H3/t15-,16-,17+/m0/s1.
What are the key properties of [(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
[(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate has a molecular weight of 338.48 g/mol, XLogP of 2.85, 6 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-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate is sourced from PubChem (CID 102573501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).