ethyl (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoate

C17H28FNO3SSi — CID 15460614

IUPACethyl (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoate
SMILESCCOC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)/C(F)=C/c1csc(C)n1
InChIInChI=1S/C17H28FNO3SSi/c1-8-21-16(20)10-15(22-24(6,7)17(3,4)5)14(18)9-13-11-23-12(2)19-13/h9,11,15H,8,10H2,1-7H3/b14-9-/t15-/m0/s1
InChIKeyFVRDNHUXQQZQRL-MZLJFPOFSA-N
MW373.57 g/mol
LogP5.11
Rot. Bonds7

About ethyl (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoate

ethyl (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoate (PubChem CID 15460614) has the molecular formula C17H28FNO3SSi and a molecular weight of 373.57 g/mol. Its IUPAC name is ethyl (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoate.

Molecular Properties

Compound Nameethyl (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoate
PubChem CID15460614
Molecular FormulaC17H28FNO3SSi
Molecular Weight373.57 g/mol
Exact Mass373.15
IUPAC Nameethyl (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoate
SMILESCCOC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)/C(F)=C/c1csc(C)n1
InChIInChI=1S/C17H28FNO3SSi/c1-8-21-16(20)10-15(22-24(6,7)17(3,4)5)14(18)9-13-11-23-12(2)19-13/h9,11,15H,8,10H2,1-7H3/b14-9-/t15-/m0/s1
InChIKeyFVRDNHUXQQZQRL-MZLJFPOFSA-N
XLogP5.11
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.57
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoate?
The IUPAC name of ethyl (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoate (CID 15460614) is ethyl (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoate.
What is the SMILES notation for ethyl (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoate?
The canonical SMILES for ethyl (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoate is CCOC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)/C(F)=C/c1csc(C)n1.
What is the InChIKey of ethyl (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoate?
The InChIKey is FVRDNHUXQQZQRL-MZLJFPOFSA-N. The full InChI is InChI=1S/C17H28FNO3SSi/c1-8-21-16(20)10-15(22-24(6,7)17(3,4)5)14(18)9-13-11-23-12(2)19-13/h9,11,15H,8,10H2,1-7H3/b14-9-/t15-/m0/s1.
What are the key properties of ethyl (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoate?
ethyl (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoate has a molecular weight of 373.57 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoate is sourced from PubChem (CID 15460614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).