propyl (2E)-2-[propoxy(trimethylsilyloxy)methylidene]butanoate

C14H28O4Si — CID 5366513

IUPACpropyl (2E)-2-[propoxy(trimethylsilyloxy)methylidene]butanoate
SMILESCCCOC(=O)/C(CC)=C(\OCCC)O[Si](C)(C)C
InChIInChI=1S/C14H28O4Si/c1-7-10-16-13(15)12(9-3)14(17-11-8-2)18-19(4,5)6/h7-11H2,1-6H3/b14-12+
InChIKeyIZQOIMVPNQJNHF-WYMLVPIESA-N
MW288.46 g/mol
LogP3.84
Rot. Bonds9

About propyl (2E)-2-[propoxy(trimethylsilyloxy)methylidene]butanoate

propyl (2E)-2-[propoxy(trimethylsilyloxy)methylidene]butanoate (PubChem CID 5366513) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is propyl (2E)-2-[propoxy(trimethylsilyloxy)methylidene]butanoate.

Molecular Properties

Compound Namepropyl (2E)-2-[propoxy(trimethylsilyloxy)methylidene]butanoate
PubChem CID5366513
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Namepropyl (2E)-2-[propoxy(trimethylsilyloxy)methylidene]butanoate
SMILESCCCOC(=O)/C(CC)=C(\OCCC)O[Si](C)(C)C
InChIInChI=1S/C14H28O4Si/c1-7-10-16-13(15)12(9-3)14(17-11-8-2)18-19(4,5)6/h7-11H2,1-6H3/b14-12+
InChIKeyIZQOIMVPNQJNHF-WYMLVPIESA-N
XLogP3.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

sodium (E)-1-ethoxy-2-ethoxycarbonylbut-1-en-1-olate
CID 134883988
methyl (2E)-2-[methoxy(trimethylsilyloxy)methylidene]-3-methylbut-3-enoate
CID 11128548
[(1-Ethoxy-2-carboethoxy-1-propenyl)oxy]-trimethylsilane
CID 54410387
ethyl (E)-3-ethoxy-2-methyl-3-trimethylsilyloxyprop-2-enoate
CID 88513603
ethyl (2E)-2-[ethoxy(trimethylsilyloxy)methylidene]hexanoate
CID 11219957
CID 13110935
CID 13110935
Butanoic acid, 2-(ethoxyhydroxymethylene)-, ethyl ester
CID 15973272
Ethyl 2-[ethoxy(hydroxy)methylidene]-5-trimethylsilylpent-4-ynoate
CID 15975995
ethyl (Z)-3-ethoxy-2-methyl-3-trimethylsilyloxyprop-2-enoate
CID 19831438
Sodium 1-ethoxy-2-ethoxycarbonylbut-1-en-1-olate
CID 23700125
Sodium 1-ethoxy-2-ethoxycarbonyl-5-trimethylsilylpent-1-en-4-yn-1-olate
CID 23706828
ethyl (2E)-2-[ethoxy(hydroxy)methylidene]butanoate
CID 55265622

Frequently Asked Questions

What is the IUPAC name of propyl (2E)-2-[propoxy(trimethylsilyloxy)methylidene]butanoate?
The IUPAC name of propyl (2E)-2-[propoxy(trimethylsilyloxy)methylidene]butanoate (CID 5366513) is propyl (2E)-2-[propoxy(trimethylsilyloxy)methylidene]butanoate.
What is the SMILES notation for propyl (2E)-2-[propoxy(trimethylsilyloxy)methylidene]butanoate?
The canonical SMILES for propyl (2E)-2-[propoxy(trimethylsilyloxy)methylidene]butanoate is CCCOC(=O)/C(CC)=C(\OCCC)O[Si](C)(C)C.
What is the InChIKey of propyl (2E)-2-[propoxy(trimethylsilyloxy)methylidene]butanoate?
The InChIKey is IZQOIMVPNQJNHF-WYMLVPIESA-N. The full InChI is InChI=1S/C14H28O4Si/c1-7-10-16-13(15)12(9-3)14(17-11-8-2)18-19(4,5)6/h7-11H2,1-6H3/b14-12+.
What are the key properties of propyl (2E)-2-[propoxy(trimethylsilyloxy)methylidene]butanoate?
propyl (2E)-2-[propoxy(trimethylsilyloxy)methylidene]butanoate has a molecular weight of 288.46 g/mol, XLogP of 3.84, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2E)-2-[propoxy(trimethylsilyloxy)methylidene]butanoate is sourced from PubChem (CID 5366513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).