[(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] 2-oxoacetate

C13H24O4Si — CID 58419722

IUPAC[(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] 2-oxoacetate
SMILESC[C@@H](/C=C\CO[Si](C)(C)C(C)(C)C)OC(=O)C=O
InChIInChI=1S/C13H24O4Si/c1-11(17-12(15)10-14)8-7-9-16-18(5,6)13(2,3)4/h7-8,10-11H,9H2,1-6H3/b8-7-/t11-/m0/s1
InChIKeyUOVKIVAHVNRZOI-TVRMLOFPSA-N
MW272.42 g/mol
LogP2.69
Rot. Bonds6

About [(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] 2-oxoacetate

[(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] 2-oxoacetate (PubChem CID 58419722) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is [(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] 2-oxoacetate.

Molecular Properties

Compound Name[(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] 2-oxoacetate
PubChem CID58419722
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Name[(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] 2-oxoacetate
SMILESC[C@@H](/C=C\CO[Si](C)(C)C(C)(C)C)OC(=O)C=O
InChIInChI=1S/C13H24O4Si/c1-11(17-12(15)10-14)8-7-9-16-18(5,6)13(2,3)4/h7-8,10-11H,9H2,1-6H3/b8-7-/t11-/m0/s1
InChIKeyUOVKIVAHVNRZOI-TVRMLOFPSA-N
XLogP2.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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 [(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] 2-oxoacetate?
The IUPAC name of [(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] 2-oxoacetate (CID 58419722) is [(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] 2-oxoacetate.
What is the SMILES notation for [(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] 2-oxoacetate?
The canonical SMILES for [(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] 2-oxoacetate is C[C@@H](/C=C\CO[Si](C)(C)C(C)(C)C)OC(=O)C=O.
What is the InChIKey of [(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] 2-oxoacetate?
The InChIKey is UOVKIVAHVNRZOI-TVRMLOFPSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-11(17-12(15)10-14)8-7-9-16-18(5,6)13(2,3)4/h7-8,10-11H,9H2,1-6H3/b8-7-/t11-/m0/s1.
What are the key properties of [(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] 2-oxoacetate?
[(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] 2-oxoacetate has a molecular weight of 272.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] 2-oxoacetate is sourced from PubChem (CID 58419722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).