ethyl 2,2-diethoxy-3-(2-methylsilyloxan-2-yl)oxybutanoate

C16H32O6Si — CID 173427232

IUPACethyl 2,2-diethoxy-3-(2-methylsilyloxan-2-yl)oxybutanoate
SMILESCCOC(=O)C(OCC)(OCC)C(C)OC1([SiH2]C)CCCCO1
InChIInChI=1S/C16H32O6Si/c1-6-18-14(17)16(19-7-2,20-8-3)13(4)22-15(23-5)11-9-10-12-21-15/h13H,6-12,23H2,1-5H3
InChIKeyNPDRZBYPDPITPE-UHFFFAOYSA-N
MW348.51 g/mol
LogP1.80
Rot. Bonds10

About ethyl 2,2-diethoxy-3-(2-methylsilyloxan-2-yl)oxybutanoate

ethyl 2,2-diethoxy-3-(2-methylsilyloxan-2-yl)oxybutanoate (PubChem CID 173427232) has the molecular formula C16H32O6Si and a molecular weight of 348.51 g/mol. Its IUPAC name is ethyl 2,2-diethoxy-3-(2-methylsilyloxan-2-yl)oxybutanoate.

Molecular Properties

Compound Nameethyl 2,2-diethoxy-3-(2-methylsilyloxan-2-yl)oxybutanoate
PubChem CID173427232
Molecular FormulaC16H32O6Si
Molecular Weight348.51 g/mol
Exact Mass348.20
IUPAC Nameethyl 2,2-diethoxy-3-(2-methylsilyloxan-2-yl)oxybutanoate
SMILESCCOC(=O)C(OCC)(OCC)C(C)OC1([SiH2]C)CCCCO1
InChIInChI=1S/C16H32O6Si/c1-6-18-14(17)16(19-7-2,20-8-3)13(4)22-15(23-5)11-9-10-12-21-15/h13H,6-12,23H2,1-5H3
InChIKeyNPDRZBYPDPITPE-UHFFFAOYSA-N
XLogP1.80
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-diethoxy-3-(2-methylsilyloxan-2-yl)oxybutanoate?
The IUPAC name of ethyl 2,2-diethoxy-3-(2-methylsilyloxan-2-yl)oxybutanoate (CID 173427232) is ethyl 2,2-diethoxy-3-(2-methylsilyloxan-2-yl)oxybutanoate.
What is the SMILES notation for ethyl 2,2-diethoxy-3-(2-methylsilyloxan-2-yl)oxybutanoate?
The canonical SMILES for ethyl 2,2-diethoxy-3-(2-methylsilyloxan-2-yl)oxybutanoate is CCOC(=O)C(OCC)(OCC)C(C)OC1([SiH2]C)CCCCO1.
What is the InChIKey of ethyl 2,2-diethoxy-3-(2-methylsilyloxan-2-yl)oxybutanoate?
The InChIKey is NPDRZBYPDPITPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O6Si/c1-6-18-14(17)16(19-7-2,20-8-3)13(4)22-15(23-5)11-9-10-12-21-15/h13H,6-12,23H2,1-5H3.
What are the key properties of ethyl 2,2-diethoxy-3-(2-methylsilyloxan-2-yl)oxybutanoate?
ethyl 2,2-diethoxy-3-(2-methylsilyloxan-2-yl)oxybutanoate has a molecular weight of 348.51 g/mol, XLogP of 1.80, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-diethoxy-3-(2-methylsilyloxan-2-yl)oxybutanoate is sourced from PubChem (CID 173427232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).