tetraethyl 4-[dimethyl(phenyl)silyl]pent-1-ene-1,1,5,5-tetracarboxylate

C25H36O8Si — CID 102281471

IUPACtetraethyl 4-[dimethyl(phenyl)silyl]pent-1-ene-1,1,5,5-tetracarboxylate
SMILESCCOC(=O)C(=CCC(C(C(=O)OCC)C(=O)OCC)[Si](C)(C)c1ccccc1)C(=O)OCC
InChIInChI=1S/C25H36O8Si/c1-7-30-22(26)19(23(27)31-8-2)16-17-20(34(5,6)18-14-12-11-13-15-18)21(24(28)32-9-3)25(29)33-10-4/h11-16,20-21H,7-10,17H2,1-6H3
InChIKeyMICLXJMRZXAGGE-UHFFFAOYSA-N
MW492.64 g/mol
LogP3.16
Rot. Bonds13

About tetraethyl 4-[dimethyl(phenyl)silyl]pent-1-ene-1,1,5,5-tetracarboxylate

tetraethyl 4-[dimethyl(phenyl)silyl]pent-1-ene-1,1,5,5-tetracarboxylate (PubChem CID 102281471) has the molecular formula C25H36O8Si and a molecular weight of 492.64 g/mol. Its IUPAC name is tetraethyl 4-[dimethyl(phenyl)silyl]pent-1-ene-1,1,5,5-tetracarboxylate.

Molecular Properties

Compound Nametetraethyl 4-[dimethyl(phenyl)silyl]pent-1-ene-1,1,5,5-tetracarboxylate
PubChem CID102281471
Molecular FormulaC25H36O8Si
Molecular Weight492.64 g/mol
Exact Mass492.22
IUPAC Nametetraethyl 4-[dimethyl(phenyl)silyl]pent-1-ene-1,1,5,5-tetracarboxylate
SMILESCCOC(=O)C(=CCC(C(C(=O)OCC)C(=O)OCC)[Si](C)(C)c1ccccc1)C(=O)OCC
InChIInChI=1S/C25H36O8Si/c1-7-30-22(26)19(23(27)31-8-2)16-17-20(34(5,6)18-14-12-11-13-15-18)21(24(28)32-9-3)25(29)33-10-4/h11-16,20-21H,7-10,17H2,1-6H3
InChIKeyMICLXJMRZXAGGE-UHFFFAOYSA-N
XLogP3.16
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.64
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-[(1R,2S)-1-[dimethyl(phenyl)silyl]-2-formylbutyl]propanedioate
CID 52920552
ethyl (E)-2-[dimethyl(phenyl)silyl]-3-trimethylsilylprop-2-enoate
CID 138983143
ethyl 2-phenylpent-2-enoate
CID 148550128
dibenzyl 2-(3-methylbutylidene)propanedioate
CID 68653947
dimethyl 2-[(1R,3S)-1,3-bis[dimethyl(phenyl)silyl]butyl]propanedioate
CID 10575797
2-ethoxycarbonyl-5-methylhex-2-enoic acid
CID 87776954
ethyl (2R)-2-amino-3-[dimethyl(phenyl)silyl]propanoate
CID 102211729
diethyl 2-[(2S)-2-phenylpropylidene]propanedioate
CID 101044093
ethyl 2-bromo-2-triphenylsilylacetate
CID 134832270
ethyl 4-[dimethyl(phenyl)silyl]benzoate
CID 86233969
(Z)-2-ethoxycarbonyl-3-phenylprop-2-enoic acid
CID 643851
diethyl (Z)-2-benzoylbut-2-enedioate
CID 12750314

Frequently Asked Questions

What is the IUPAC name of tetraethyl 4-[dimethyl(phenyl)silyl]pent-1-ene-1,1,5,5-tetracarboxylate?
The IUPAC name of tetraethyl 4-[dimethyl(phenyl)silyl]pent-1-ene-1,1,5,5-tetracarboxylate (CID 102281471) is tetraethyl 4-[dimethyl(phenyl)silyl]pent-1-ene-1,1,5,5-tetracarboxylate.
What is the SMILES notation for tetraethyl 4-[dimethyl(phenyl)silyl]pent-1-ene-1,1,5,5-tetracarboxylate?
The canonical SMILES for tetraethyl 4-[dimethyl(phenyl)silyl]pent-1-ene-1,1,5,5-tetracarboxylate is CCOC(=O)C(=CCC(C(C(=O)OCC)C(=O)OCC)[Si](C)(C)c1ccccc1)C(=O)OCC.
What is the InChIKey of tetraethyl 4-[dimethyl(phenyl)silyl]pent-1-ene-1,1,5,5-tetracarboxylate?
The InChIKey is MICLXJMRZXAGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O8Si/c1-7-30-22(26)19(23(27)31-8-2)16-17-20(34(5,6)18-14-12-11-13-15-18)21(24(28)32-9-3)25(29)33-10-4/h11-16,20-21H,7-10,17H2,1-6H3.
What are the key properties of tetraethyl 4-[dimethyl(phenyl)silyl]pent-1-ene-1,1,5,5-tetracarboxylate?
tetraethyl 4-[dimethyl(phenyl)silyl]pent-1-ene-1,1,5,5-tetracarboxylate has a molecular weight of 492.64 g/mol, XLogP of 3.16, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethyl 4-[dimethyl(phenyl)silyl]pent-1-ene-1,1,5,5-tetracarboxylate is sourced from PubChem (CID 102281471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).