[(2R,3R,5R)-5-(5-ethyl-4-trimethylsilyloxolan-2-yl)-2-[(E)-pent-2-en-4-ynyl]oxolan-3-yl] acetate

C20H32O4Si — CID 10904596

IUPAC[(2R,3R,5R)-5-(5-ethyl-4-trimethylsilyloxolan-2-yl)-2-[(E)-pent-2-en-4-ynyl]oxolan-3-yl] acetate
SMILESC#C/C=C/C[C@H]1O[C@@H](C2CC([Si](C)(C)C)C(CC)O2)C[C@H]1OC(C)=O
InChIInChI=1S/C20H32O4Si/c1-7-9-10-11-16-17(22-14(3)21)12-18(24-16)19-13-20(25(4,5)6)15(8-2)23-19/h1,9-10,15-20H,8,11-13H2,2-6H3/b10-9+/t15?,16-,17-,18-,19?,20?/m1/s1
InChIKeyOJCSOWFKGVYITJ-RMJGDAIESA-N
MW364.56 g/mol
LogP3.93
Rot. Bonds6

About [(2R,3R,5R)-5-(5-ethyl-4-trimethylsilyloxolan-2-yl)-2-[(E)-pent-2-en-4-ynyl]oxolan-3-yl] acetate

[(2R,3R,5R)-5-(5-ethyl-4-trimethylsilyloxolan-2-yl)-2-[(E)-pent-2-en-4-ynyl]oxolan-3-yl] acetate (PubChem CID 10904596) has the molecular formula C20H32O4Si and a molecular weight of 364.56 g/mol. Its IUPAC name is [(2R,3R,5R)-5-(5-ethyl-4-trimethylsilyloxolan-2-yl)-2-[(E)-pent-2-en-4-ynyl]oxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,5R)-5-(5-ethyl-4-trimethylsilyloxolan-2-yl)-2-[(E)-pent-2-en-4-ynyl]oxolan-3-yl] acetate
PubChem CID10904596
Molecular FormulaC20H32O4Si
Molecular Weight364.56 g/mol
Exact Mass364.21
IUPAC Name[(2R,3R,5R)-5-(5-ethyl-4-trimethylsilyloxolan-2-yl)-2-[(E)-pent-2-en-4-ynyl]oxolan-3-yl] acetate
SMILESC#C/C=C/C[C@H]1O[C@@H](C2CC([Si](C)(C)C)C(CC)O2)C[C@H]1OC(C)=O
InChIInChI=1S/C20H32O4Si/c1-7-9-10-11-16-17(22-14(3)21)12-18(24-16)19-13-20(25(4,5)6)15(8-2)23-19/h1,9-10,15-20H,8,11-13H2,2-6H3/b10-9+/t15?,16-,17-,18-,19?,20?/m1/s1
InChIKeyOJCSOWFKGVYITJ-RMJGDAIESA-N
XLogP3.93
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R)-5-(5-ethyl-4-trimethylsilyloxolan-2-yl)-2-[(E)-pent-2-en-4-ynyl]oxolan-3-yl] acetate?
The IUPAC name of [(2R,3R,5R)-5-(5-ethyl-4-trimethylsilyloxolan-2-yl)-2-[(E)-pent-2-en-4-ynyl]oxolan-3-yl] acetate (CID 10904596) is [(2R,3R,5R)-5-(5-ethyl-4-trimethylsilyloxolan-2-yl)-2-[(E)-pent-2-en-4-ynyl]oxolan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,5R)-5-(5-ethyl-4-trimethylsilyloxolan-2-yl)-2-[(E)-pent-2-en-4-ynyl]oxolan-3-yl] acetate?
The canonical SMILES for [(2R,3R,5R)-5-(5-ethyl-4-trimethylsilyloxolan-2-yl)-2-[(E)-pent-2-en-4-ynyl]oxolan-3-yl] acetate is C#C/C=C/C[C@H]1O[C@@H](C2CC([Si](C)(C)C)C(CC)O2)C[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,5R)-5-(5-ethyl-4-trimethylsilyloxolan-2-yl)-2-[(E)-pent-2-en-4-ynyl]oxolan-3-yl] acetate?
The InChIKey is OJCSOWFKGVYITJ-RMJGDAIESA-N. The full InChI is InChI=1S/C20H32O4Si/c1-7-9-10-11-16-17(22-14(3)21)12-18(24-16)19-13-20(25(4,5)6)15(8-2)23-19/h1,9-10,15-20H,8,11-13H2,2-6H3/b10-9+/t15?,16-,17-,18-,19?,20?/m1/s1.
What are the key properties of [(2R,3R,5R)-5-(5-ethyl-4-trimethylsilyloxolan-2-yl)-2-[(E)-pent-2-en-4-ynyl]oxolan-3-yl] acetate?
[(2R,3R,5R)-5-(5-ethyl-4-trimethylsilyloxolan-2-yl)-2-[(E)-pent-2-en-4-ynyl]oxolan-3-yl] acetate has a molecular weight of 364.56 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5R)-5-(5-ethyl-4-trimethylsilyloxolan-2-yl)-2-[(E)-pent-2-en-4-ynyl]oxolan-3-yl] acetate is sourced from PubChem (CID 10904596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).