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

C16H30O9Si — CID 58057327

IUPACethyl 2-[bis[(1-ethoxy-1-oxopropan-2-yl)oxy]-methylsilyl]oxypropanoate
SMILESCCOC(=O)C(C)O[Si](C)(OC(C)C(=O)OCC)OC(C)C(=O)OCC
InChIInChI=1S/C16H30O9Si/c1-8-20-14(17)11(4)23-26(7,24-12(5)15(18)21-9-2)25-13(6)16(19)22-10-3/h11-13H,8-10H2,1-7H3
InChIKeyGEHBCMANDTVUJI-UHFFFAOYSA-N
MW394.49 g/mol
LogP1.46
Rot. Bonds12

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

ethyl 2-[bis[(1-ethoxy-1-oxopropan-2-yl)oxy]-methylsilyl]oxypropanoate (PubChem CID 58057327) has the molecular formula C16H30O9Si and a molecular weight of 394.49 g/mol. Its IUPAC name is ethyl 2-[bis[(1-ethoxy-1-oxopropan-2-yl)oxy]-methylsilyl]oxypropanoate.

Molecular Properties

Compound Nameethyl 2-[bis[(1-ethoxy-1-oxopropan-2-yl)oxy]-methylsilyl]oxypropanoate
PubChem CID58057327
Molecular FormulaC16H30O9Si
Molecular Weight394.49 g/mol
Exact Mass394.17
IUPAC Nameethyl 2-[bis[(1-ethoxy-1-oxopropan-2-yl)oxy]-methylsilyl]oxypropanoate
SMILESCCOC(=O)C(C)O[Si](C)(OC(C)C(=O)OCC)OC(C)C(=O)OCC
InChIInChI=1S/C16H30O9Si/c1-8-20-14(17)11(4)23-26(7,24-12(5)15(18)21-9-2)25-13(6)16(19)22-10-3/h11-13H,8-10H2,1-7H3
InChIKeyGEHBCMANDTVUJI-UHFFFAOYSA-N
XLogP1.46
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 51.46
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-[bis[(1-ethoxy-1-oxopropan-2-yl)oxy]-methylsilyl]oxypropanoate?
The IUPAC name of ethyl 2-[bis[(1-ethoxy-1-oxopropan-2-yl)oxy]-methylsilyl]oxypropanoate (CID 58057327) is ethyl 2-[bis[(1-ethoxy-1-oxopropan-2-yl)oxy]-methylsilyl]oxypropanoate.
What is the SMILES notation for ethyl 2-[bis[(1-ethoxy-1-oxopropan-2-yl)oxy]-methylsilyl]oxypropanoate?
The canonical SMILES for ethyl 2-[bis[(1-ethoxy-1-oxopropan-2-yl)oxy]-methylsilyl]oxypropanoate is CCOC(=O)C(C)O[Si](C)(OC(C)C(=O)OCC)OC(C)C(=O)OCC.
What is the InChIKey of ethyl 2-[bis[(1-ethoxy-1-oxopropan-2-yl)oxy]-methylsilyl]oxypropanoate?
The InChIKey is GEHBCMANDTVUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O9Si/c1-8-20-14(17)11(4)23-26(7,24-12(5)15(18)21-9-2)25-13(6)16(19)22-10-3/h11-13H,8-10H2,1-7H3.
What are the key properties of ethyl 2-[bis[(1-ethoxy-1-oxopropan-2-yl)oxy]-methylsilyl]oxypropanoate?
ethyl 2-[bis[(1-ethoxy-1-oxopropan-2-yl)oxy]-methylsilyl]oxypropanoate has a molecular weight of 394.49 g/mol, XLogP of 1.46, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[bis[(1-ethoxy-1-oxopropan-2-yl)oxy]-methylsilyl]oxypropanoate is sourced from PubChem (CID 58057327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).