methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-difluoro-3-methyl-5-phenylpent-2-enoate

C19H28F2O3Si — CID 52921122

About methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-difluoro-3-methyl-5-phenylpent-2-enoate

methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-difluoro-3-methyl-5-phenylpent-2-enoate (PubChem CID 52921122) has the molecular formula C19H28F2O3Si and a molecular weight of 370.51 g/mol. Its IUPAC name is methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-difluoro-3-methyl-5-phenylpent-2-enoate.

Molecular Properties

• Compound Name: methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-difluoro-3-methyl-5-phenylpent-2-enoate
• PubChem CID: 52921122
• Molecular Formula: C19H28F2O3Si
• Molecular Weight: 370.51 g/mol
• Exact Mass: 370.18
• IUPAC Name: methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-difluoro-3-methyl-5-phenylpent-2-enoate
• SMILES: COC(=O)/C=C(/C)C(F)(F)C(O[Si](C)(C)C(C)(C)C)c1ccccc1
• InChI: InChI=1S/C19H28F2O3Si/c1-14(13-16(22)23-5)19(20,21)17(15-11-9-8-10-12-15)24-25(6,7)18(2,3)4/h8-13,17H,1-7H3/b14-13-
• InChIKey: DMILVZFSKXMWNC-YPKPFQOOSA-N
• XLogP: 5.50
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.51
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-difluoro-3-methyl-5-phenylpent-2-enoate?

The IUPAC name of methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-difluoro-3-methyl-5-phenylpent-2-enoate (CID 52921122) is methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-difluoro-3-methyl-5-phenylpent-2-enoate.

What is the SMILES notation for methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-difluoro-3-methyl-5-phenylpent-2-enoate?

The canonical SMILES for methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-difluoro-3-methyl-5-phenylpent-2-enoate is COC(=O)/C=C(/C)C(F)(F)C(O[Si](C)(C)C(C)(C)C)c1ccccc1.

What is the InChIKey of methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-difluoro-3-methyl-5-phenylpent-2-enoate?

The InChIKey is DMILVZFSKXMWNC-YPKPFQOOSA-N. The full InChI is InChI=1S/C19H28F2O3Si/c1-14(13-16(22)23-5)19(20,21)17(15-11-9-8-10-12-15)24-25(6,7)18(2,3)4/h8-13,17H,1-7H3/b14-13-.

What are the key properties of methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-difluoro-3-methyl-5-phenylpent-2-enoate?

methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-difluoro-3-methyl-5-phenylpent-2-enoate has a molecular weight of 370.51 g/mol, XLogP of 5.50, 6 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-4,4-difluoro-3-methyl-5-phenylpent-2-enoate is sourced from PubChem (CID 52921122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).