(E)-4-[2-cyclohexyl-2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethoxy]-4-oxobut-2-enoic acid

C20H38O6Si2 — CID 151580287

IUPAC(E)-4-[2-cyclohexyl-2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethoxy]-4-oxobut-2-enoic acid
SMILESC[Si](C)(C)O[Si](C)(C)CCCOC(COC(=O)/C=C/C(=O)O)C1CCCCC1
InChIInChI=1S/C20H38O6Si2/c1-27(2,3)26-28(4,5)15-9-14-24-18(17-10-7-6-8-11-17)16-25-20(23)13-12-19(21)22/h12-13,17-18H,6-11,14-16H2,1-5H3,(H,21,22)/b13-12+
InChIKeyQGIIKROVEREAEI-OUKQBFOZSA-N
MW430.69 g/mol
LogP4.58
Rot. Bonds12

About (E)-4-[2-cyclohexyl-2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethoxy]-4-oxobut-2-enoic acid

(E)-4-[2-cyclohexyl-2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethoxy]-4-oxobut-2-enoic acid (PubChem CID 151580287) has the molecular formula C20H38O6Si2 and a molecular weight of 430.69 g/mol. Its IUPAC name is (E)-4-[2-cyclohexyl-2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethoxy]-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-[2-cyclohexyl-2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethoxy]-4-oxobut-2-enoic acid
PubChem CID151580287
Molecular FormulaC20H38O6Si2
Molecular Weight430.69 g/mol
Exact Mass430.22
IUPAC Name(E)-4-[2-cyclohexyl-2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethoxy]-4-oxobut-2-enoic acid
SMILESC[Si](C)(C)O[Si](C)(C)CCCOC(COC(=O)/C=C/C(=O)O)C1CCCCC1
InChIInChI=1S/C20H38O6Si2/c1-27(2,3)26-28(4,5)15-9-14-24-18(17-10-7-6-8-11-17)16-25-20(23)13-12-19(21)22/h12-13,17-18H,6-11,14-16H2,1-5H3,(H,21,22)/b13-12+
InChIKeyQGIIKROVEREAEI-OUKQBFOZSA-N
XLogP4.58
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.69
LogP ≤ 54.58
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'}

Analyze (E)-4-[2-cyclohexyl-2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethoxy]-4-oxobut-2-enoic acid with MolForge

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Related Compounds

bis[3-[dimethyl-[methyl-bis(trimethylsilyloxy)silyl]oxysilyl]propyl] but-2-enedioate
CID 173321361
4-oxo-4-(3-trimethylsilylpropoxy)but-2-enoic acid
CID 91126449
1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) but-2-enedioate
CID 173346718
[3-[3-[[3-(3-but-2-enoyloxy-2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl] but-2-enoate
CID 123160039
(E)-4-[2-[4-(2-methylpropyl)cyclohexyl]ethoxy]-4-oxobut-2-enoic acid
CID 172565476
2-cyclohexyl-3-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]but-2-enedioic acid
CID 67764331
(2S,3R)-2,3-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]butane-1,4-diol
CID 153425788
2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethane-1,1-diol
CID 163940247
(E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid
CID 6436495
(E)-4-(2-ethylbutoxy)-4-oxobut-2-enoic acid
CID 88825906
1-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]propan-2-ol
CID 58711087
4-[[3-but-2-enoyloxypropyl-bis(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butanoic acid
CID 173409415

Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-cyclohexyl-2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethoxy]-4-oxobut-2-enoic acid?
The IUPAC name of (E)-4-[2-cyclohexyl-2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethoxy]-4-oxobut-2-enoic acid (CID 151580287) is (E)-4-[2-cyclohexyl-2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethoxy]-4-oxobut-2-enoic acid.
What is the SMILES notation for (E)-4-[2-cyclohexyl-2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethoxy]-4-oxobut-2-enoic acid?
The canonical SMILES for (E)-4-[2-cyclohexyl-2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethoxy]-4-oxobut-2-enoic acid is C[Si](C)(C)O[Si](C)(C)CCCOC(COC(=O)/C=C/C(=O)O)C1CCCCC1.
What is the InChIKey of (E)-4-[2-cyclohexyl-2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethoxy]-4-oxobut-2-enoic acid?
The InChIKey is QGIIKROVEREAEI-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H38O6Si2/c1-27(2,3)26-28(4,5)15-9-14-24-18(17-10-7-6-8-11-17)16-25-20(23)13-12-19(21)22/h12-13,17-18H,6-11,14-16H2,1-5H3,(H,21,22)/b13-12+.
What are the key properties of (E)-4-[2-cyclohexyl-2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethoxy]-4-oxobut-2-enoic acid?
(E)-4-[2-cyclohexyl-2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethoxy]-4-oxobut-2-enoic acid has a molecular weight of 430.69 g/mol, XLogP of 4.58, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-cyclohexyl-2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethoxy]-4-oxobut-2-enoic acid is sourced from PubChem (CID 151580287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).