methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate

C12H23FO3Si — CID 10587587

IUPACmethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate
SMILESCOC(=O)/C(F)=C/C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23FO3Si/c1-9(8-10(13)11(14)15-5)16-17(6,7)12(2,3)4/h8-9H,1-7H3/b10-8-
InChIKeyXCAWEHDVJHPBQA-NTMALXAHSA-N
MW262.40 g/mol
LogP3.42
Rot. Bonds4

About methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate

methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate (PubChem CID 10587587) has the molecular formula C12H23FO3Si and a molecular weight of 262.40 g/mol. Its IUPAC name is methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate
PubChem CID10587587
Molecular FormulaC12H23FO3Si
Molecular Weight262.40 g/mol
Exact Mass262.14
IUPAC Namemethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate
SMILESCOC(=O)/C(F)=C/C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23FO3Si/c1-9(8-10(13)11(14)15-5)16-17(6,7)12(2,3)4/h8-9H,1-7H3/b10-8-
InChIKeyXCAWEHDVJHPBQA-NTMALXAHSA-N
XLogP3.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.42
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'}

Analyze methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluorohex-2-enoate
CID 10683898
(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)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate?
The IUPAC name of methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate (CID 10587587) is methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate.
What is the SMILES notation for methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate?
The canonical SMILES for methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate is COC(=O)/C(F)=C/C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate?
The InChIKey is XCAWEHDVJHPBQA-NTMALXAHSA-N. The full InChI is InChI=1S/C12H23FO3Si/c1-9(8-10(13)11(14)15-5)16-17(6,7)12(2,3)4/h8-9H,1-7H3/b10-8-.
What are the key properties of methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate?
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate has a molecular weight of 262.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate is sourced from PubChem (CID 10587587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).