(E)-3-(2-oxo-2-triethylsilyloxyethoxy)carbonylpent-2-enoic acid

C14H24O6Si — CID 141075998

IUPAC(E)-3-(2-oxo-2-triethylsilyloxyethoxy)carbonylpent-2-enoic acid
SMILESCC/C(=C\C(=O)O)C(=O)OCC(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C14H24O6Si/c1-5-11(9-12(15)16)14(18)19-10-13(17)20-21(6-2,7-3)8-4/h9H,5-8,10H2,1-4H3,(H,15,16)/b11-9+
InChIKeyQCZVDVZMHXQAPI-PKNBQFBNSA-N
MW316.43 g/mol
LogP2.50
Rot. Bonds9

About (E)-3-(2-oxo-2-triethylsilyloxyethoxy)carbonylpent-2-enoic acid

(E)-3-(2-oxo-2-triethylsilyloxyethoxy)carbonylpent-2-enoic acid (PubChem CID 141075998) has the molecular formula C14H24O6Si and a molecular weight of 316.43 g/mol. Its IUPAC name is (E)-3-(2-oxo-2-triethylsilyloxyethoxy)carbonylpent-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2-oxo-2-triethylsilyloxyethoxy)carbonylpent-2-enoic acid
PubChem CID141075998
Molecular FormulaC14H24O6Si
Molecular Weight316.43 g/mol
Exact Mass316.13
IUPAC Name(E)-3-(2-oxo-2-triethylsilyloxyethoxy)carbonylpent-2-enoic acid
SMILESCC/C(=C\C(=O)O)C(=O)OCC(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C14H24O6Si/c1-5-11(9-12(15)16)14(18)19-10-13(17)20-21(6-2,7-3)8-4/h9H,5-8,10H2,1-4H3,(H,15,16)/b11-9+
InChIKeyQCZVDVZMHXQAPI-PKNBQFBNSA-N
XLogP2.50
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-O-(2-methylprop-2-enoyl) 1-O-(2-oxo-2-tributylsilyloxyethyl) 2-methylpent-2-enedioate
CID 91245627
(E)-3-(2-oxo-2-tributylsilyloxyethoxy)carbonylhept-2-enoic acid
CID 141075927
(Z)-3-methyl-4-oxo-4-[2-oxo-2-tri(propan-2-yl)silyloxyethoxy]but-2-enoic acid
CID 141075951
(Z)-3-(4-oxo-4-triethylsilyloxybutoxy)carbonylpent-2-enoic acid
CID 141075973
(Z)-3-(3-oxo-3-triethylsilyloxypropoxy)carbonylpent-2-enoic acid
CID 141076030
(Z)-3-(2-oxo-2-triethylsilyloxyethoxy)carbonylpent-2-enoic acid
CID 141076080
(E)-3-(3-oxo-3-triethylsilyloxypropoxy)carbonylpent-2-enoic acid
CID 141076134
(E)-3-methyl-4-oxo-4-[2-oxo-2-tri(propan-2-yl)silyloxyethoxy]but-2-enoic acid
CID 141076155
(Z)-3-(2-oxo-2-tributylsilyloxyethoxy)carbonylhept-2-enoic acid
CID 141076164
(E)-3-(4-oxo-4-triethylsilyloxybutoxy)carbonylpent-2-enoic acid
CID 141076178
3-Prop-2-enoxycarbonyl-6-trimethoxysilylhexa-2,5-dienoic acid
CID 173247040
3-(3-Trimethoxysilylprop-2-enoxycarbonyl)hexa-2,5-dienoic acid
CID 173326048

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-oxo-2-triethylsilyloxyethoxy)carbonylpent-2-enoic acid?
The IUPAC name of (E)-3-(2-oxo-2-triethylsilyloxyethoxy)carbonylpent-2-enoic acid (CID 141075998) is (E)-3-(2-oxo-2-triethylsilyloxyethoxy)carbonylpent-2-enoic acid.
What is the SMILES notation for (E)-3-(2-oxo-2-triethylsilyloxyethoxy)carbonylpent-2-enoic acid?
The canonical SMILES for (E)-3-(2-oxo-2-triethylsilyloxyethoxy)carbonylpent-2-enoic acid is CC/C(=C\C(=O)O)C(=O)OCC(=O)O[Si](CC)(CC)CC.
What is the InChIKey of (E)-3-(2-oxo-2-triethylsilyloxyethoxy)carbonylpent-2-enoic acid?
The InChIKey is QCZVDVZMHXQAPI-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H24O6Si/c1-5-11(9-12(15)16)14(18)19-10-13(17)20-21(6-2,7-3)8-4/h9H,5-8,10H2,1-4H3,(H,15,16)/b11-9+.
What are the key properties of (E)-3-(2-oxo-2-triethylsilyloxyethoxy)carbonylpent-2-enoic acid?
(E)-3-(2-oxo-2-triethylsilyloxyethoxy)carbonylpent-2-enoic acid has a molecular weight of 316.43 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-oxo-2-triethylsilyloxyethoxy)carbonylpent-2-enoic acid is sourced from PubChem (CID 141075998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).