ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate

C18H36O3Si2 — CID 146018218

IUPACethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate
SMILESCCOC(=O)C(=C\CCO[Si](C)(C)C(C)(C)C)/C=C/[Si](C)(C)C
InChIInChI=1S/C18H36O3Si2/c1-10-20-17(19)16(13-15-22(5,6)7)12-11-14-21-23(8,9)18(2,3)4/h12-13,15H,10-11,14H2,1-9H3/b15-13+,16-12-
InChIKeyCTJZPIFMKNBCEA-KJZZRQCISA-N
MW356.66 g/mol
LogP5.32
Rot. Bonds8

About ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate

ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate (PubChem CID 146018218) has the molecular formula C18H36O3Si2 and a molecular weight of 356.66 g/mol. Its IUPAC name is ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate
PubChem CID146018218
Molecular FormulaC18H36O3Si2
Molecular Weight356.66 g/mol
Exact Mass356.22
IUPAC Nameethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate
SMILESCCOC(=O)C(=C\CCO[Si](C)(C)C(C)(C)C)/C=C/[Si](C)(C)C
InChIInChI=1S/C18H36O3Si2/c1-10-20-17(19)16(13-15-22(5,6)7)12-11-14-21-23(8,9)18(2,3)4/h12-13,15H,10-11,14H2,1-9H3/b15-13+,16-12-
InChIKeyCTJZPIFMKNBCEA-KJZZRQCISA-N
XLogP5.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.66
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate?
The IUPAC name of ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate (CID 146018218) is ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate.
What is the SMILES notation for ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate?
The canonical SMILES for ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate is CCOC(=O)C(=C\CCO[Si](C)(C)C(C)(C)C)/C=C/[Si](C)(C)C.
What is the InChIKey of ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate?
The InChIKey is CTJZPIFMKNBCEA-KJZZRQCISA-N. The full InChI is InChI=1S/C18H36O3Si2/c1-10-20-17(19)16(13-15-22(5,6)7)12-11-14-21-23(8,9)18(2,3)4/h12-13,15H,10-11,14H2,1-9H3/b15-13+,16-12-.
What are the key properties of ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate?
ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate has a molecular weight of 356.66 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate is sourced from PubChem (CID 146018218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).