5-O-(2-methylprop-2-enoyl) 1-O-(2-oxo-2-tributylsilyloxyethyl) 2-methylpent-2-enedioate

C24H40O7Si — CID 91245627

IUPAC5-O-(2-methylprop-2-enoyl) 1-O-(2-oxo-2-tributylsilyloxyethyl) 2-methylpent-2-enedioate
SMILESC=C(C)C(=O)OC(=O)CC=C(C)C(=O)OCC(=O)O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C24H40O7Si/c1-7-10-15-32(16-11-8-2,17-12-9-3)31-22(26)18-29-24(28)20(6)13-14-21(25)30-23(27)19(4)5/h13H,4,7-12,14-18H2,1-3,5-6H3
InChIKeyAOHNKHHEYDCAMR-UHFFFAOYSA-N
MW468.66 g/mol
LogP5.40
Rot. Bonds16

About 5-O-(2-methylprop-2-enoyl) 1-O-(2-oxo-2-tributylsilyloxyethyl) 2-methylpent-2-enedioate

5-O-(2-methylprop-2-enoyl) 1-O-(2-oxo-2-tributylsilyloxyethyl) 2-methylpent-2-enedioate (PubChem CID 91245627) has the molecular formula C24H40O7Si and a molecular weight of 468.66 g/mol. Its IUPAC name is 5-O-(2-methylprop-2-enoyl) 1-O-(2-oxo-2-tributylsilyloxyethyl) 2-methylpent-2-enedioate.

Molecular Properties

Compound Name5-O-(2-methylprop-2-enoyl) 1-O-(2-oxo-2-tributylsilyloxyethyl) 2-methylpent-2-enedioate
PubChem CID91245627
Molecular FormulaC24H40O7Si
Molecular Weight468.66 g/mol
Exact Mass468.25
IUPAC Name5-O-(2-methylprop-2-enoyl) 1-O-(2-oxo-2-tributylsilyloxyethyl) 2-methylpent-2-enedioate
SMILESC=C(C)C(=O)OC(=O)CC=C(C)C(=O)OCC(=O)O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C24H40O7Si/c1-7-10-15-32(16-11-8-2,17-12-9-3)31-22(26)18-29-24(28)20(6)13-14-21(25)30-23(27)19(4)5/h13H,4,7-12,14-18H2,1-3,5-6H3
InChIKeyAOHNKHHEYDCAMR-UHFFFAOYSA-N
XLogP5.40
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.66
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-O-(2-methylprop-2-enoyl) 1-O-(2-oxo-2-tributylsilyloxyethyl) 2-methylpent-2-enedioate 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

ethyl (E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-enoate
CID 49788313
ethyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxofuran-2-carboxylate
CID 101773488
[(2E,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhexa-2,5-dienyl] 2-methylprop-2-enoate
CID 102075174
ethyl (2E,6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-2,6,11-trimethyldodeca-2,6,10-trienoate
CID 135024074
ethyl (2S)-4-[ditert-butyl(hydroxy)silyl]oxy-2-methyl-5-oxofuran-2-carboxylate
CID 139190547
ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate
CID 87244073
2-Trimethylsilyloxyethyl 2-methyl-6-trimethylsilyloxyhex-2-enoate
CID 91209829
Ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate
CID 123195052
1-O-methyl 6-O-[2-oxo-2-tri(propan-2-yl)silyloxyethyl] (2E,4E)-2,5-dimethylhexa-2,4-dienedioate
CID 140027342
(Z)-3-methyl-4-oxo-4-[2-oxo-2-tri(propan-2-yl)silyloxyethoxy]but-2-enoic acid
CID 141075951
(E)-3-(2-oxo-2-triethylsilyloxyethoxy)carbonylpent-2-enoic acid
CID 141075998
(Z)-3-(2-oxo-2-triethylsilyloxyethoxy)carbonylpent-2-enoic acid
CID 141076080

Frequently Asked Questions

What is the IUPAC name of 5-O-(2-methylprop-2-enoyl) 1-O-(2-oxo-2-tributylsilyloxyethyl) 2-methylpent-2-enedioate?
The IUPAC name of 5-O-(2-methylprop-2-enoyl) 1-O-(2-oxo-2-tributylsilyloxyethyl) 2-methylpent-2-enedioate (CID 91245627) is 5-O-(2-methylprop-2-enoyl) 1-O-(2-oxo-2-tributylsilyloxyethyl) 2-methylpent-2-enedioate.
What is the SMILES notation for 5-O-(2-methylprop-2-enoyl) 1-O-(2-oxo-2-tributylsilyloxyethyl) 2-methylpent-2-enedioate?
The canonical SMILES for 5-O-(2-methylprop-2-enoyl) 1-O-(2-oxo-2-tributylsilyloxyethyl) 2-methylpent-2-enedioate is C=C(C)C(=O)OC(=O)CC=C(C)C(=O)OCC(=O)O[Si](CCCC)(CCCC)CCCC.
What is the InChIKey of 5-O-(2-methylprop-2-enoyl) 1-O-(2-oxo-2-tributylsilyloxyethyl) 2-methylpent-2-enedioate?
The InChIKey is AOHNKHHEYDCAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O7Si/c1-7-10-15-32(16-11-8-2,17-12-9-3)31-22(26)18-29-24(28)20(6)13-14-21(25)30-23(27)19(4)5/h13H,4,7-12,14-18H2,1-3,5-6H3.
What are the key properties of 5-O-(2-methylprop-2-enoyl) 1-O-(2-oxo-2-tributylsilyloxyethyl) 2-methylpent-2-enedioate?
5-O-(2-methylprop-2-enoyl) 1-O-(2-oxo-2-tributylsilyloxyethyl) 2-methylpent-2-enedioate has a molecular weight of 468.66 g/mol, XLogP of 5.40, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-(2-methylprop-2-enoyl) 1-O-(2-oxo-2-tributylsilyloxyethyl) 2-methylpent-2-enedioate is sourced from PubChem (CID 91245627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).