ethyl 2-(2-ethyl-1,1-dimethylsiletan-3-yl)acetate

C11H22O2Si — CID 139777843

IUPACethyl 2-(2-ethyl-1,1-dimethylsiletan-3-yl)acetate
SMILESCCOC(=O)CC1C[Si](C)(C)C1CC
InChIInChI=1S/C11H22O2Si/c1-5-10-9(8-14(10,3)4)7-11(12)13-6-2/h9-10H,5-8H2,1-4H3
InChIKeyFPWPNQQIQMGTFC-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.06
Rot. Bonds4

About ethyl 2-(2-ethyl-1,1-dimethylsiletan-3-yl)acetate

ethyl 2-(2-ethyl-1,1-dimethylsiletan-3-yl)acetate (PubChem CID 139777843) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is ethyl 2-(2-ethyl-1,1-dimethylsiletan-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-ethyl-1,1-dimethylsiletan-3-yl)acetate
PubChem CID139777843
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Nameethyl 2-(2-ethyl-1,1-dimethylsiletan-3-yl)acetate
SMILESCCOC(=O)CC1C[Si](C)(C)C1CC
InChIInChI=1S/C11H22O2Si/c1-5-10-9(8-14(10,3)4)7-11(12)13-6-2/h9-10H,5-8H2,1-4H3
InChIKeyFPWPNQQIQMGTFC-UHFFFAOYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethyl-1,1-dimethylsiletan-3-yl)acetate?
The IUPAC name of ethyl 2-(2-ethyl-1,1-dimethylsiletan-3-yl)acetate (CID 139777843) is ethyl 2-(2-ethyl-1,1-dimethylsiletan-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2-ethyl-1,1-dimethylsiletan-3-yl)acetate?
The canonical SMILES for ethyl 2-(2-ethyl-1,1-dimethylsiletan-3-yl)acetate is CCOC(=O)CC1C[Si](C)(C)C1CC.
What is the InChIKey of ethyl 2-(2-ethyl-1,1-dimethylsiletan-3-yl)acetate?
The InChIKey is FPWPNQQIQMGTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-5-10-9(8-14(10,3)4)7-11(12)13-6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of ethyl 2-(2-ethyl-1,1-dimethylsiletan-3-yl)acetate?
ethyl 2-(2-ethyl-1,1-dimethylsiletan-3-yl)acetate has a molecular weight of 214.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethyl-1,1-dimethylsiletan-3-yl)acetate is sourced from PubChem (CID 139777843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).