ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]acetate

C13H28O4Si — CID 10660119

IUPACethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]acetate
SMILESCCOC(=O)COCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O4Si/c1-7-16-12(14)11-15-9-8-10-17-18(5,6)13(2,3)4/h7-11H2,1-6H3
InChIKeyJJJURYSCKSNCDY-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.98
Rot. Bonds8

About ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]acetate

ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]acetate (PubChem CID 10660119) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]acetate
PubChem CID10660119
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Nameethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]acetate
SMILESCCOC(=O)COCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O4Si/c1-7-16-12(14)11-15-9-8-10-17-18(5,6)13(2,3)4/h7-11H2,1-6H3
InChIKeyJJJURYSCKSNCDY-UHFFFAOYSA-N
XLogP2.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-butoxyacetate
CID 14419651
ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 101084181
ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10826090
ethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate
CID 14298877
ethyl 2-(3-sulfanylpropoxy)acetate
CID 134600079
ethyl 2-(2-sulfanylethoxy)acetate
CID 174809512
ethane;ethyl 2-(13-aminotridecoxy)acetate
CID 144962312
2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]acetic acid
CID 170898180
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
ethyl 2-hept-6-enoxyacetate
CID 131980625
ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopropane-1-carboxylate
CID 163278309
[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 22907893

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]acetate?
The IUPAC name of ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]acetate (CID 10660119) is ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]acetate?
The canonical SMILES for ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]acetate is CCOC(=O)COCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]acetate?
The InChIKey is JJJURYSCKSNCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4Si/c1-7-16-12(14)11-15-9-8-10-17-18(5,6)13(2,3)4/h7-11H2,1-6H3.
What are the key properties of ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]acetate?
ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]acetate has a molecular weight of 276.45 g/mol, XLogP of 2.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]acetate is sourced from PubChem (CID 10660119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).