methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluorohex-2-enoate

C13H25FO3Si — CID 10683898

IUPACmethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluorohex-2-enoate
SMILESCOC(=O)/C(F)=C/CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25FO3Si/c1-10(8-9-11(14)12(15)16-5)17-18(6,7)13(2,3)4/h9-10H,8H2,1-7H3/b11-9-
InChIKeyAAGXNXJBDDZEPP-LUAWRHEFSA-N
MW276.42 g/mol
LogP3.81
Rot. Bonds5

About methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluorohex-2-enoate

methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluorohex-2-enoate (PubChem CID 10683898) has the molecular formula C13H25FO3Si and a molecular weight of 276.42 g/mol. Its IUPAC name is methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluorohex-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluorohex-2-enoate
PubChem CID10683898
Molecular FormulaC13H25FO3Si
Molecular Weight276.42 g/mol
Exact Mass276.16
IUPAC Namemethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluorohex-2-enoate
SMILESCOC(=O)/C(F)=C/CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25FO3Si/c1-10(8-9-11(14)12(15)16-5)17-18(6,7)13(2,3)4/h9-10H,8H2,1-7H3/b11-9-
InChIKeyAAGXNXJBDDZEPP-LUAWRHEFSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
ethyl (E)-2-fluoro-5-(tertbutyldimethylsilyloxy)-2-pentenoate
CID 59912784
Fur020
CID 9992141
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6,6,6-trifluorohex-2-enoate
CID 11681414
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838010
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838011
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 134907379
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
(E)-5-(tert-butyl-dimethyl-silanyloxy)-pent-2-enoic acid methyl ester
CID 11630130
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate
CID 10587587
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2H-furan-5-one
CID 15403702
methyl (Z)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enoate
CID 21651807

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluorohex-2-enoate?
The IUPAC name of methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluorohex-2-enoate (CID 10683898) is methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluorohex-2-enoate.
What is the SMILES notation for methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluorohex-2-enoate?
The canonical SMILES for methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluorohex-2-enoate is COC(=O)/C(F)=C/CC(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluorohex-2-enoate?
The InChIKey is AAGXNXJBDDZEPP-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H25FO3Si/c1-10(8-9-11(14)12(15)16-5)17-18(6,7)13(2,3)4/h9-10H,8H2,1-7H3/b11-9-.
What are the key properties of methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluorohex-2-enoate?
methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluorohex-2-enoate has a molecular weight of 276.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluorohex-2-enoate is sourced from PubChem (CID 10683898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).