ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate

C13H25FO3Si — CID 139673733

IUPACethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate
SMILESCCOC(=O)/C(F)=C(/CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25FO3Si/c1-8-10(11(14)12(15)16-9-2)17-18(6,7)13(3,4)5/h8-9H2,1-7H3/b11-10+
InChIKeyBNOJTVQNSQEVMQ-ZHACJKMWSA-N
MW276.42 g/mol
LogP4.16
Rot. Bonds5

About ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate

ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate (PubChem CID 139673733) has the molecular formula C13H25FO3Si and a molecular weight of 276.42 g/mol. Its IUPAC name is ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate
PubChem CID139673733
Molecular FormulaC13H25FO3Si
Molecular Weight276.42 g/mol
Exact Mass276.16
IUPAC Nameethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate
SMILESCCOC(=O)/C(F)=C(/CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25FO3Si/c1-8-10(11(14)12(15)16-9-2)17-18(6,7)13(3,4)5/h8-9H2,1-7H3/b11-10+
InChIKeyBNOJTVQNSQEVMQ-ZHACJKMWSA-N
XLogP4.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate?
The IUPAC name of ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate (CID 139673733) is ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate.
What is the SMILES notation for ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate?
The canonical SMILES for ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate is CCOC(=O)/C(F)=C(/CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate?
The InChIKey is BNOJTVQNSQEVMQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H25FO3Si/c1-8-10(11(14)12(15)16-9-2)17-18(6,7)13(3,4)5/h8-9H2,1-7H3/b11-10+.
What are the key properties of ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate?
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate has a molecular weight of 276.42 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate is sourced from PubChem (CID 139673733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).