ethyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorohex-4-enoate

C21H43FO4Si2 — CID 11270477

IUPACethyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorohex-4-enoate
SMILESCCOC(=O)C[C@@](F)(/C=C/CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H43FO4Si2/c1-12-24-18(23)16-21(22,17-26-28(10,11)20(5,6)7)14-13-15-25-27(8,9)19(2,3)4/h13-14H,12,15-17H2,1-11H3/b14-13+/t21-/m0/s1
InChIKeyKYTPMHUXASFCGX-ARKBFRDHSA-N
MW434.74 g/mol
LogP6.25
Rot. Bonds10

About ethyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorohex-4-enoate

ethyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorohex-4-enoate (PubChem CID 11270477) has the molecular formula C21H43FO4Si2 and a molecular weight of 434.74 g/mol. Its IUPAC name is ethyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorohex-4-enoate.

Molecular Properties

Compound Nameethyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorohex-4-enoate
PubChem CID11270477
Molecular FormulaC21H43FO4Si2
Molecular Weight434.74 g/mol
Exact Mass434.27
IUPAC Nameethyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorohex-4-enoate
SMILESCCOC(=O)C[C@@](F)(/C=C/CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H43FO4Si2/c1-12-24-18(23)16-21(22,17-26-28(10,11)20(5,6)7)14-13-15-25-27(8,9)19(2,3)4/h13-14H,12,15-17H2,1-11H3/b14-13+/t21-/m0/s1
InChIKeyKYTPMHUXASFCGX-ARKBFRDHSA-N
XLogP6.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.74
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 ethyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorohex-4-enoate?
The IUPAC name of ethyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorohex-4-enoate (CID 11270477) is ethyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorohex-4-enoate.
What is the SMILES notation for ethyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorohex-4-enoate?
The canonical SMILES for ethyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorohex-4-enoate is CCOC(=O)C[C@@](F)(/C=C/CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorohex-4-enoate?
The InChIKey is KYTPMHUXASFCGX-ARKBFRDHSA-N. The full InChI is InChI=1S/C21H43FO4Si2/c1-12-24-18(23)16-21(22,17-26-28(10,11)20(5,6)7)14-13-15-25-27(8,9)19(2,3)4/h13-14H,12,15-17H2,1-11H3/b14-13+/t21-/m0/s1.
What are the key properties of ethyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorohex-4-enoate?
ethyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorohex-4-enoate has a molecular weight of 434.74 g/mol, XLogP of 6.25, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorohex-4-enoate is sourced from PubChem (CID 11270477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).