ethyl 2-[ethenyl-bis[(1-ethoxy-1-oxopropan-2-yl)oxy]silyl]oxypropanoate

C17H30O9Si — CID 58057325

IUPACethyl 2-[ethenyl-bis[(1-ethoxy-1-oxopropan-2-yl)oxy]silyl]oxypropanoate
SMILESC=C[Si](OC(C)C(=O)OCC)(OC(C)C(=O)OCC)OC(C)C(=O)OCC
InChIInChI=1S/C17H30O9Si/c1-8-21-15(18)12(5)24-27(11-4,25-13(6)16(19)22-9-2)26-14(7)17(20)23-10-3/h11-14H,4,8-10H2,1-3,5-7H3
InChIKeyKDSOEZRHMSGLSU-UHFFFAOYSA-N
MW406.50 g/mol
LogP1.56
Rot. Bonds13

About ethyl 2-[ethenyl-bis[(1-ethoxy-1-oxopropan-2-yl)oxy]silyl]oxypropanoate

ethyl 2-[ethenyl-bis[(1-ethoxy-1-oxopropan-2-yl)oxy]silyl]oxypropanoate (PubChem CID 58057325) has the molecular formula C17H30O9Si and a molecular weight of 406.50 g/mol. Its IUPAC name is ethyl 2-[ethenyl-bis[(1-ethoxy-1-oxopropan-2-yl)oxy]silyl]oxypropanoate.

Molecular Properties

Compound Nameethyl 2-[ethenyl-bis[(1-ethoxy-1-oxopropan-2-yl)oxy]silyl]oxypropanoate
PubChem CID58057325
Molecular FormulaC17H30O9Si
Molecular Weight406.50 g/mol
Exact Mass406.17
IUPAC Nameethyl 2-[ethenyl-bis[(1-ethoxy-1-oxopropan-2-yl)oxy]silyl]oxypropanoate
SMILESC=C[Si](OC(C)C(=O)OCC)(OC(C)C(=O)OCC)OC(C)C(=O)OCC
InChIInChI=1S/C17H30O9Si/c1-8-21-15(18)12(5)24-27(11-4,25-13(6)16(19)22-9-2)26-14(7)17(20)23-10-3/h11-14H,4,8-10H2,1-3,5-7H3
InChIKeyKDSOEZRHMSGLSU-UHFFFAOYSA-N
XLogP1.56
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethenyl-bis[(1-ethoxy-1-oxopropan-2-yl)oxy]silyl]oxypropanoate?
The IUPAC name of ethyl 2-[ethenyl-bis[(1-ethoxy-1-oxopropan-2-yl)oxy]silyl]oxypropanoate (CID 58057325) is ethyl 2-[ethenyl-bis[(1-ethoxy-1-oxopropan-2-yl)oxy]silyl]oxypropanoate.
What is the SMILES notation for ethyl 2-[ethenyl-bis[(1-ethoxy-1-oxopropan-2-yl)oxy]silyl]oxypropanoate?
The canonical SMILES for ethyl 2-[ethenyl-bis[(1-ethoxy-1-oxopropan-2-yl)oxy]silyl]oxypropanoate is C=C[Si](OC(C)C(=O)OCC)(OC(C)C(=O)OCC)OC(C)C(=O)OCC.
What is the InChIKey of ethyl 2-[ethenyl-bis[(1-ethoxy-1-oxopropan-2-yl)oxy]silyl]oxypropanoate?
The InChIKey is KDSOEZRHMSGLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O9Si/c1-8-21-15(18)12(5)24-27(11-4,25-13(6)16(19)22-9-2)26-14(7)17(20)23-10-3/h11-14H,4,8-10H2,1-3,5-7H3.
What are the key properties of ethyl 2-[ethenyl-bis[(1-ethoxy-1-oxopropan-2-yl)oxy]silyl]oxypropanoate?
ethyl 2-[ethenyl-bis[(1-ethoxy-1-oxopropan-2-yl)oxy]silyl]oxypropanoate has a molecular weight of 406.50 g/mol, XLogP of 1.56, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethenyl-bis[(1-ethoxy-1-oxopropan-2-yl)oxy]silyl]oxypropanoate is sourced from PubChem (CID 58057325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).