ethyl 3-(2-trimethylsilylethoxymethoxy)butanoate

C12H26O4Si — CID 71336008

IUPACethyl 3-(2-trimethylsilylethoxymethoxy)butanoate
SMILESCCOC(=O)CC(C)OCOCC[Si](C)(C)C
InChIInChI=1S/C12H26O4Si/c1-6-15-12(13)9-11(2)16-10-14-7-8-17(3,4)5/h11H,6-10H2,1-5H3
InChIKeyUUOPEKHKHHFTBF-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.66
Rot. Bonds9

About ethyl 3-(2-trimethylsilylethoxymethoxy)butanoate

ethyl 3-(2-trimethylsilylethoxymethoxy)butanoate (PubChem CID 71336008) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is ethyl 3-(2-trimethylsilylethoxymethoxy)butanoate.

Molecular Properties

Compound Nameethyl 3-(2-trimethylsilylethoxymethoxy)butanoate
PubChem CID71336008
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Nameethyl 3-(2-trimethylsilylethoxymethoxy)butanoate
SMILESCCOC(=O)CC(C)OCOCC[Si](C)(C)C
InChIInChI=1S/C12H26O4Si/c1-6-15-12(13)9-11(2)16-10-14-7-8-17(3,4)5/h11H,6-10H2,1-5H3
InChIKeyUUOPEKHKHHFTBF-UHFFFAOYSA-N
XLogP2.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.66
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-trimethylsilylethoxymethoxy)propanoic acid
CID 10775311
methyl (2R,9S)-2-hydroxy-9-(2-trimethylsilylethoxymethoxy)decanoate
CID 102292945
ethyl (2E,5S,6E)-7-iodo-5-(2-trimethylsilylethoxymethoxy)hepta-2,6-dienoate
CID 10693697
3-methyl-2-(2-trimethylsilylethoxymethoxy)butanal
CID 22599556
propyl 3-propoxybutanoate
CID 175273522
ethyl 3-carbamoyloxybutanoate
CID 88785770
ethyl (3S)-3-[4-[4-[4-[(2S)-4-ethoxy-4-oxobutan-2-yl]oxyphenyl]phenyl]phenoxy]butanoate
CID 67763826
ethyl 2-(2-trimethylsilylethylsulfonyl)acetate
CID 101109784
methyl (2S,9R)-2-phenylmethoxy-9-(2-trimethylsilylethoxymethoxy)decanoate
CID 11732882
ethyl 3-(cyclohexylmethoxy)butanoate
CID 115003091
ethyl 3-[hydroxy(methyl)amino]butanoate
CID 131856293
ethyl 2-[dimethyl(propan-2-yl)silyl]acetate
CID 102437234

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-trimethylsilylethoxymethoxy)butanoate?
The IUPAC name of ethyl 3-(2-trimethylsilylethoxymethoxy)butanoate (CID 71336008) is ethyl 3-(2-trimethylsilylethoxymethoxy)butanoate.
What is the SMILES notation for ethyl 3-(2-trimethylsilylethoxymethoxy)butanoate?
The canonical SMILES for ethyl 3-(2-trimethylsilylethoxymethoxy)butanoate is CCOC(=O)CC(C)OCOCC[Si](C)(C)C.
What is the InChIKey of ethyl 3-(2-trimethylsilylethoxymethoxy)butanoate?
The InChIKey is UUOPEKHKHHFTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4Si/c1-6-15-12(13)9-11(2)16-10-14-7-8-17(3,4)5/h11H,6-10H2,1-5H3.
What are the key properties of ethyl 3-(2-trimethylsilylethoxymethoxy)butanoate?
ethyl 3-(2-trimethylsilylethoxymethoxy)butanoate has a molecular weight of 262.42 g/mol, XLogP of 2.66, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-trimethylsilylethoxymethoxy)butanoate is sourced from PubChem (CID 71336008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).