ethyl 2-[dimethyl(propan-2-yl)silyl]acetate

C9H20O2Si — CID 102437234

IUPACethyl 2-[dimethyl(propan-2-yl)silyl]acetate
SMILESCCOC(=O)C[Si](C)(C)C(C)C
InChIInChI=1S/C9H20O2Si/c1-6-11-9(10)7-12(4,5)8(2)3/h8H,6-7H2,1-5H3
InChIKeyDIQMJPGIGQKEGK-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.67
Rot. Bonds4

About ethyl 2-[dimethyl(propan-2-yl)silyl]acetate

ethyl 2-[dimethyl(propan-2-yl)silyl]acetate (PubChem CID 102437234) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is ethyl 2-[dimethyl(propan-2-yl)silyl]acetate.

Molecular Properties

Compound Nameethyl 2-[dimethyl(propan-2-yl)silyl]acetate
PubChem CID102437234
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Nameethyl 2-[dimethyl(propan-2-yl)silyl]acetate
SMILESCCOC(=O)C[Si](C)(C)C(C)C
InChIInChI=1S/C9H20O2Si/c1-6-11-9(10)7-12(4,5)8(2)3/h8H,6-7H2,1-5H3
InChIKeyDIQMJPGIGQKEGK-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[methoxy-di(propan-2-yl)silyl]acetate
CID 159600204
diethyl hexanedioate
CID 160747628
potassium;diethyl propanedioate;sulfanide
CID 159289328
ethyl (3R)-3-methylpentanoate
CID 7567160
ethyl 6-amino-3,4-dimethyl-6-oxohexanoate
CID 59188853
diethyl icosanedioate
CID 5058538
ethyl 2-propan-2-yloxyacetate
CID 537908
diethyl propanedioate;3-methylpentane
CID 174912983
ethyl (3R)-3-methyl-4-oxopentanoate
CID 14870757
ethyl (4S)-3,4-dihydroxypentanoate
CID 156690497
ethyl 3-(dimethylamino)butanoate
CID 3020377
ethyl 3-[(4-ethoxy-4-oxobutan-2-yl)amino]butanoate
CID 121011286

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[dimethyl(propan-2-yl)silyl]acetate?
The IUPAC name of ethyl 2-[dimethyl(propan-2-yl)silyl]acetate (CID 102437234) is ethyl 2-[dimethyl(propan-2-yl)silyl]acetate.
What is the SMILES notation for ethyl 2-[dimethyl(propan-2-yl)silyl]acetate?
The canonical SMILES for ethyl 2-[dimethyl(propan-2-yl)silyl]acetate is CCOC(=O)C[Si](C)(C)C(C)C.
What is the InChIKey of ethyl 2-[dimethyl(propan-2-yl)silyl]acetate?
The InChIKey is DIQMJPGIGQKEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-6-11-9(10)7-12(4,5)8(2)3/h8H,6-7H2,1-5H3.
What are the key properties of ethyl 2-[dimethyl(propan-2-yl)silyl]acetate?
ethyl 2-[dimethyl(propan-2-yl)silyl]acetate has a molecular weight of 188.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[dimethyl(propan-2-yl)silyl]acetate is sourced from PubChem (CID 102437234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).