(Z)-3-methyl-4-oxo-4-[2-oxo-2-tri(propan-2-yl)silyloxyethoxy]but-2-enoic acid

C16H28O6Si — CID 141075951

IUPAC(Z)-3-methyl-4-oxo-4-[2-oxo-2-tri(propan-2-yl)silyloxyethoxy]but-2-enoic acid
SMILESC/C(=C/C(=O)O)C(=O)OCC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H28O6Si/c1-10(2)23(11(3)4,12(5)6)22-15(19)9-21-16(20)13(7)8-14(17)18/h8,10-12H,9H2,1-7H3,(H,17,18)/b13-8-
InChIKeyFUAUIUKNOLICKH-JYRVWZFOSA-N
MW344.48 g/mol
LogP3.28
Rot. Bonds8

About (Z)-3-methyl-4-oxo-4-[2-oxo-2-tri(propan-2-yl)silyloxyethoxy]but-2-enoic acid

(Z)-3-methyl-4-oxo-4-[2-oxo-2-tri(propan-2-yl)silyloxyethoxy]but-2-enoic acid (PubChem CID 141075951) has the molecular formula C16H28O6Si and a molecular weight of 344.48 g/mol. Its IUPAC name is (Z)-3-methyl-4-oxo-4-[2-oxo-2-tri(propan-2-yl)silyloxyethoxy]but-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-methyl-4-oxo-4-[2-oxo-2-tri(propan-2-yl)silyloxyethoxy]but-2-enoic acid
PubChem CID141075951
Molecular FormulaC16H28O6Si
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name(Z)-3-methyl-4-oxo-4-[2-oxo-2-tri(propan-2-yl)silyloxyethoxy]but-2-enoic acid
SMILESC/C(=C/C(=O)O)C(=O)OCC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H28O6Si/c1-10(2)23(11(3)4,12(5)6)22-15(19)9-21-16(20)13(7)8-14(17)18/h8,10-12H,9H2,1-7H3,(H,17,18)/b13-8-
InChIKeyFUAUIUKNOLICKH-JYRVWZFOSA-N
XLogP3.28
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-methyl-4-oxo-4-[2-oxo-2-tri(propan-2-yl)silyloxyethoxy]but-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyl-4-oxo-4-(3-tripropylsilylpropoxy)but-2-enoic acid
CID 54293986
3-Methyl-4-oxo-4-(4-tributylsilylbutoxy)but-2-enoic acid
CID 54547262
(Z)-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobut-2-enoic acid
CID 58113134
[2-Oxo-2-tri(propan-2-yl)silyloxyethyl] 2-methylprop-2-enoate
CID 87706022
1-O-methyl 4-O-[2-oxo-2-tri(propan-2-yl)silyloxyethyl] (Z)-but-2-enedioate
CID 87706180
1-O-methyl 4-O-[2-oxo-2-tri(propan-2-yl)silyloxyethyl] (E)-but-2-enedioate
CID 87706183
[2-[Tert-butyl(dimethyl)silyl]oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 87706442
(2-Oxo-2-tributylsilyloxyethyl) 2-methylprop-2-enoate
CID 87707237
5-O-(2-methylprop-2-enoyl) 1-O-(2-oxo-2-tributylsilyloxyethyl) 2-methylpent-2-enedioate
CID 91245627
1-O-methyl 4-O-[2-oxo-2-tri(propan-2-yl)silyloxyethyl] but-2-enedioate
CID 91372829
1-O-methyl 6-O-[2-oxo-2-tri(propan-2-yl)silyloxyethyl] (2E,4E)-2,5-dimethylhexa-2,4-dienedioate
CID 140027342
(Z)-4-(2-methoxy-2-oxoethoxy)-3-methyl-4-oxobut-2-enoic acid
CID 140205971

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-4-oxo-4-[2-oxo-2-tri(propan-2-yl)silyloxyethoxy]but-2-enoic acid?
The IUPAC name of (Z)-3-methyl-4-oxo-4-[2-oxo-2-tri(propan-2-yl)silyloxyethoxy]but-2-enoic acid (CID 141075951) is (Z)-3-methyl-4-oxo-4-[2-oxo-2-tri(propan-2-yl)silyloxyethoxy]but-2-enoic acid.
What is the SMILES notation for (Z)-3-methyl-4-oxo-4-[2-oxo-2-tri(propan-2-yl)silyloxyethoxy]but-2-enoic acid?
The canonical SMILES for (Z)-3-methyl-4-oxo-4-[2-oxo-2-tri(propan-2-yl)silyloxyethoxy]but-2-enoic acid is C/C(=C/C(=O)O)C(=O)OCC(=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (Z)-3-methyl-4-oxo-4-[2-oxo-2-tri(propan-2-yl)silyloxyethoxy]but-2-enoic acid?
The InChIKey is FUAUIUKNOLICKH-JYRVWZFOSA-N. The full InChI is InChI=1S/C16H28O6Si/c1-10(2)23(11(3)4,12(5)6)22-15(19)9-21-16(20)13(7)8-14(17)18/h8,10-12H,9H2,1-7H3,(H,17,18)/b13-8-.
What are the key properties of (Z)-3-methyl-4-oxo-4-[2-oxo-2-tri(propan-2-yl)silyloxyethoxy]but-2-enoic acid?
(Z)-3-methyl-4-oxo-4-[2-oxo-2-tri(propan-2-yl)silyloxyethoxy]but-2-enoic acid has a molecular weight of 344.48 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-4-oxo-4-[2-oxo-2-tri(propan-2-yl)silyloxyethoxy]but-2-enoic acid is sourced from PubChem (CID 141075951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).