ethyl (Z)-3-ethoxy-3-triethylsilyloxyprop-2-enoate

C13H26O4Si — CID 23261882

IUPACethyl (Z)-3-ethoxy-3-triethylsilyloxyprop-2-enoate
SMILESCCOC(=O)/C=C(/OCC)O[Si](CC)(CC)CC
InChIInChI=1S/C13H26O4Si/c1-6-15-12(14)11-13(16-7-2)17-18(8-3,9-4)10-5/h11H,6-10H2,1-5H3/b13-11-
InChIKeyJCDDKUBVKQCEGJ-QBFSEMIESA-N
MW274.43 g/mol
LogP3.45
Rot. Bonds9

About ethyl (Z)-3-ethoxy-3-triethylsilyloxyprop-2-enoate

ethyl (Z)-3-ethoxy-3-triethylsilyloxyprop-2-enoate (PubChem CID 23261882) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is ethyl (Z)-3-ethoxy-3-triethylsilyloxyprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-ethoxy-3-triethylsilyloxyprop-2-enoate
PubChem CID23261882
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Nameethyl (Z)-3-ethoxy-3-triethylsilyloxyprop-2-enoate
SMILESCCOC(=O)/C=C(/OCC)O[Si](CC)(CC)CC
InChIInChI=1S/C13H26O4Si/c1-6-15-12(14)11-13(16-7-2)17-18(8-3,9-4)10-5/h11H,6-10H2,1-5H3/b13-11-
InChIKeyJCDDKUBVKQCEGJ-QBFSEMIESA-N
XLogP3.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.45
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

CID 2756289
CID 2756289
CID 21160056
CID 21160056
CID 87470518
CID 87470518
CID 91696664
CID 91696664
CID 85832774
CID 85832774
CID 5366435
CID 5366435
CID 5368147
CID 5368147
CID 6536921
CID 6536921
CID 552418
CID 552418
CID 560652
CID 560652
CID 13908064
CID 13908064
CID 15334987
CID 15334987

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-ethoxy-3-triethylsilyloxyprop-2-enoate?
The IUPAC name of ethyl (Z)-3-ethoxy-3-triethylsilyloxyprop-2-enoate (CID 23261882) is ethyl (Z)-3-ethoxy-3-triethylsilyloxyprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-ethoxy-3-triethylsilyloxyprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-ethoxy-3-triethylsilyloxyprop-2-enoate is CCOC(=O)/C=C(/OCC)O[Si](CC)(CC)CC.
What is the InChIKey of ethyl (Z)-3-ethoxy-3-triethylsilyloxyprop-2-enoate?
The InChIKey is JCDDKUBVKQCEGJ-QBFSEMIESA-N. The full InChI is InChI=1S/C13H26O4Si/c1-6-15-12(14)11-13(16-7-2)17-18(8-3,9-4)10-5/h11H,6-10H2,1-5H3/b13-11-.
What are the key properties of ethyl (Z)-3-ethoxy-3-triethylsilyloxyprop-2-enoate?
ethyl (Z)-3-ethoxy-3-triethylsilyloxyprop-2-enoate has a molecular weight of 274.43 g/mol, XLogP of 3.45, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-ethoxy-3-triethylsilyloxyprop-2-enoate is sourced from PubChem (CID 23261882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).