(E)-3-(5-oxo-5-triethylsilyloxypentoxy)carbonylpent-2-enoic acid

C17H30O6Si — CID 141075875

IUPAC(E)-3-(5-oxo-5-triethylsilyloxypentoxy)carbonylpent-2-enoic acid
SMILESCC/C(=C\C(=O)O)C(=O)OCCCCC(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C17H30O6Si/c1-5-14(13-15(18)19)17(21)22-12-10-9-11-16(20)23-24(6-2,7-3)8-4/h13H,5-12H2,1-4H3,(H,18,19)/b14-13+
InChIKeyIEJGEOMUANSBSU-BUHFOSPRSA-N
MW358.51 g/mol
LogP3.67
Rot. Bonds12

About (E)-3-(5-oxo-5-triethylsilyloxypentoxy)carbonylpent-2-enoic acid

(E)-3-(5-oxo-5-triethylsilyloxypentoxy)carbonylpent-2-enoic acid (PubChem CID 141075875) has the molecular formula C17H30O6Si and a molecular weight of 358.51 g/mol. Its IUPAC name is (E)-3-(5-oxo-5-triethylsilyloxypentoxy)carbonylpent-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(5-oxo-5-triethylsilyloxypentoxy)carbonylpent-2-enoic acid
PubChem CID141075875
Molecular FormulaC17H30O6Si
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name(E)-3-(5-oxo-5-triethylsilyloxypentoxy)carbonylpent-2-enoic acid
SMILESCC/C(=C\C(=O)O)C(=O)OCCCCC(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C17H30O6Si/c1-5-14(13-15(18)19)17(21)22-12-10-9-11-16(20)23-24(6-2,7-3)8-4/h13H,5-12H2,1-4H3,(H,18,19)/b14-13+
InChIKeyIEJGEOMUANSBSU-BUHFOSPRSA-N
XLogP3.67
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.67
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-oxo-5-triethylsilyloxypentoxy)carbonylpent-2-enoic acid?
The IUPAC name of (E)-3-(5-oxo-5-triethylsilyloxypentoxy)carbonylpent-2-enoic acid (CID 141075875) is (E)-3-(5-oxo-5-triethylsilyloxypentoxy)carbonylpent-2-enoic acid.
What is the SMILES notation for (E)-3-(5-oxo-5-triethylsilyloxypentoxy)carbonylpent-2-enoic acid?
The canonical SMILES for (E)-3-(5-oxo-5-triethylsilyloxypentoxy)carbonylpent-2-enoic acid is CC/C(=C\C(=O)O)C(=O)OCCCCC(=O)O[Si](CC)(CC)CC.
What is the InChIKey of (E)-3-(5-oxo-5-triethylsilyloxypentoxy)carbonylpent-2-enoic acid?
The InChIKey is IEJGEOMUANSBSU-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H30O6Si/c1-5-14(13-15(18)19)17(21)22-12-10-9-11-16(20)23-24(6-2,7-3)8-4/h13H,5-12H2,1-4H3,(H,18,19)/b14-13+.
What are the key properties of (E)-3-(5-oxo-5-triethylsilyloxypentoxy)carbonylpent-2-enoic acid?
(E)-3-(5-oxo-5-triethylsilyloxypentoxy)carbonylpent-2-enoic acid has a molecular weight of 358.51 g/mol, XLogP of 3.67, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-oxo-5-triethylsilyloxypentoxy)carbonylpent-2-enoic acid is sourced from PubChem (CID 141075875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).