(Z)-3-(4-oxo-4-triethylsilyloxybutoxy)carbonylpent-2-enoic acid

C16H28O6Si — CID 141075973

IUPAC(Z)-3-(4-oxo-4-triethylsilyloxybutoxy)carbonylpent-2-enoic acid
SMILESCC/C(=C/C(=O)O)C(=O)OCCCC(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C16H28O6Si/c1-5-13(12-14(17)18)16(20)21-11-9-10-15(19)22-23(6-2,7-3)8-4/h12H,5-11H2,1-4H3,(H,17,18)/b13-12-
InChIKeyBJQLYKMBULDBFP-SEYXRHQNSA-N
MW344.48 g/mol
LogP3.28
Rot. Bonds11

About (Z)-3-(4-oxo-4-triethylsilyloxybutoxy)carbonylpent-2-enoic acid

(Z)-3-(4-oxo-4-triethylsilyloxybutoxy)carbonylpent-2-enoic acid (PubChem CID 141075973) has the molecular formula C16H28O6Si and a molecular weight of 344.48 g/mol. Its IUPAC name is (Z)-3-(4-oxo-4-triethylsilyloxybutoxy)carbonylpent-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(4-oxo-4-triethylsilyloxybutoxy)carbonylpent-2-enoic acid
PubChem CID141075973
Molecular FormulaC16H28O6Si
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name(Z)-3-(4-oxo-4-triethylsilyloxybutoxy)carbonylpent-2-enoic acid
SMILESCC/C(=C/C(=O)O)C(=O)OCCCC(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C16H28O6Si/c1-5-13(12-14(17)18)16(20)21-11-9-10-15(19)22-23(6-2,7-3)8-4/h12H,5-11H2,1-4H3,(H,17,18)/b13-12-
InChIKeyBJQLYKMBULDBFP-SEYXRHQNSA-N
XLogP3.28
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

diethyl (E)-5-methylidene-3-trimethylsilylhex-2-enedioate
CID 101412878
5,5,5-Trifluoro-3-[3-tris(trimethylsilyloxy)silylpropoxycarbonyl]pent-2-enoic acid
CID 91145717
3-[1-[Dimethyl(trimethylsilyloxy)silyl]propoxycarbonyl]-5,5,5-trifluoropent-2-enoic acid
CID 91152393
5,5,5-Trifluoro-3-(3-trimethylsilylpropoxycarbonyl)pent-2-enoic acid
CID 91302118
ethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylpent-2-enoate
CID 60153401
2,4-Hexadienedioic acid, mono(3-methyl-5-oxo-5-(1-(trimethylsilyl)ethoxy)-3-pentenyl) ester, (E,E,Z)-
CID 6443074
(3E,5E)-3-ethoxycarbonyl-6-trimethylsilylhexa-3,5-dienoic acid
CID 11139741
ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-2-enoate
CID 21771056
3-Methyl-4-oxo-4-(4-tributylsilylbutoxy)but-2-enoic acid
CID 54547262
4-[Dimethyl(trimethylsilyloxy)silyl]-3-propoxycarbonylhex-2-enoic acid
CID 57192349
5-Methoxycarbonyl-2-methylhexa-2,5-dienoic acid;3-(3-trimethoxysilylpropoxy)propan-1-ol
CID 87979123
3-Trimethoxysilylpropyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate
CID 90965879

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-oxo-4-triethylsilyloxybutoxy)carbonylpent-2-enoic acid?
The IUPAC name of (Z)-3-(4-oxo-4-triethylsilyloxybutoxy)carbonylpent-2-enoic acid (CID 141075973) is (Z)-3-(4-oxo-4-triethylsilyloxybutoxy)carbonylpent-2-enoic acid.
What is the SMILES notation for (Z)-3-(4-oxo-4-triethylsilyloxybutoxy)carbonylpent-2-enoic acid?
The canonical SMILES for (Z)-3-(4-oxo-4-triethylsilyloxybutoxy)carbonylpent-2-enoic acid is CC/C(=C/C(=O)O)C(=O)OCCCC(=O)O[Si](CC)(CC)CC.
What is the InChIKey of (Z)-3-(4-oxo-4-triethylsilyloxybutoxy)carbonylpent-2-enoic acid?
The InChIKey is BJQLYKMBULDBFP-SEYXRHQNSA-N. The full InChI is InChI=1S/C16H28O6Si/c1-5-13(12-14(17)18)16(20)21-11-9-10-15(19)22-23(6-2,7-3)8-4/h12H,5-11H2,1-4H3,(H,17,18)/b13-12-.
What are the key properties of (Z)-3-(4-oxo-4-triethylsilyloxybutoxy)carbonylpent-2-enoic acid?
(Z)-3-(4-oxo-4-triethylsilyloxybutoxy)carbonylpent-2-enoic acid has a molecular weight of 344.48 g/mol, XLogP of 3.28, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-oxo-4-triethylsilyloxybutoxy)carbonylpent-2-enoic acid is sourced from PubChem (CID 141075973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).