ethyl (3S,4R)-4-[5-[tert-butyl(dimethyl)silyl]oxypenta-1,2-dienyl]-2-oxooxolane-3-carboxylate

C18H30O5Si — CID 71764455

IUPACethyl (3S,4R)-4-[5-[tert-butyl(dimethyl)silyl]oxypenta-1,2-dienyl]-2-oxooxolane-3-carboxylate
SMILESCCOC(=O)[C@H]1C(=O)OC[C@@H]1C=C=CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O5Si/c1-7-21-16(19)15-14(13-22-17(15)20)11-9-8-10-12-23-24(5,6)18(2,3)4/h8,11,14-15H,7,10,12-13H2,1-6H3/t9?,14-,15-/m0/s1
InChIKeyIDZOXRLBZMZFLA-UXAGNNLVSA-N
MW354.52 g/mol
LogP3.46
Rot. Bonds7

About ethyl (3S,4R)-4-[5-[tert-butyl(dimethyl)silyl]oxypenta-1,2-dienyl]-2-oxooxolane-3-carboxylate

ethyl (3S,4R)-4-[5-[tert-butyl(dimethyl)silyl]oxypenta-1,2-dienyl]-2-oxooxolane-3-carboxylate (PubChem CID 71764455) has the molecular formula C18H30O5Si and a molecular weight of 354.52 g/mol. Its IUPAC name is ethyl (3S,4R)-4-[5-[tert-butyl(dimethyl)silyl]oxypenta-1,2-dienyl]-2-oxooxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S,4R)-4-[5-[tert-butyl(dimethyl)silyl]oxypenta-1,2-dienyl]-2-oxooxolane-3-carboxylate
PubChem CID71764455
Molecular FormulaC18H30O5Si
Molecular Weight354.52 g/mol
Exact Mass354.19
IUPAC Nameethyl (3S,4R)-4-[5-[tert-butyl(dimethyl)silyl]oxypenta-1,2-dienyl]-2-oxooxolane-3-carboxylate
SMILESCCOC(=O)[C@H]1C(=O)OC[C@@H]1C=C=CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O5Si/c1-7-21-16(19)15-14(13-22-17(15)20)11-9-8-10-12-23-24(5,6)18(2,3)4/h8,11,14-15H,7,10,12-13H2,1-6H3/t9?,14-,15-/m0/s1
InChIKeyIDZOXRLBZMZFLA-UXAGNNLVSA-N
XLogP3.46
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (3S,4R)-4-[5-[tert-butyl(dimethyl)silyl]oxypenta-1,2-dienyl]-2-oxooxolane-3-carboxylate?
The IUPAC name of ethyl (3S,4R)-4-[5-[tert-butyl(dimethyl)silyl]oxypenta-1,2-dienyl]-2-oxooxolane-3-carboxylate (CID 71764455) is ethyl (3S,4R)-4-[5-[tert-butyl(dimethyl)silyl]oxypenta-1,2-dienyl]-2-oxooxolane-3-carboxylate.
What is the SMILES notation for ethyl (3S,4R)-4-[5-[tert-butyl(dimethyl)silyl]oxypenta-1,2-dienyl]-2-oxooxolane-3-carboxylate?
The canonical SMILES for ethyl (3S,4R)-4-[5-[tert-butyl(dimethyl)silyl]oxypenta-1,2-dienyl]-2-oxooxolane-3-carboxylate is CCOC(=O)[C@H]1C(=O)OC[C@@H]1C=C=CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (3S,4R)-4-[5-[tert-butyl(dimethyl)silyl]oxypenta-1,2-dienyl]-2-oxooxolane-3-carboxylate?
The InChIKey is IDZOXRLBZMZFLA-UXAGNNLVSA-N. The full InChI is InChI=1S/C18H30O5Si/c1-7-21-16(19)15-14(13-22-17(15)20)11-9-8-10-12-23-24(5,6)18(2,3)4/h8,11,14-15H,7,10,12-13H2,1-6H3/t9?,14-,15-/m0/s1.
What are the key properties of ethyl (3S,4R)-4-[5-[tert-butyl(dimethyl)silyl]oxypenta-1,2-dienyl]-2-oxooxolane-3-carboxylate?
ethyl (3S,4R)-4-[5-[tert-butyl(dimethyl)silyl]oxypenta-1,2-dienyl]-2-oxooxolane-3-carboxylate has a molecular weight of 354.52 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S,4R)-4-[5-[tert-butyl(dimethyl)silyl]oxypenta-1,2-dienyl]-2-oxooxolane-3-carboxylate is sourced from PubChem (CID 71764455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).