5-O-ethyl 1-O-methyl 2-trimethylsilylpentanedioate

C11H22O4Si — CID 14531358

IUPAC5-O-ethyl 1-O-methyl 2-trimethylsilylpentanedioate
SMILESCCOC(=O)CCC(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C11H22O4Si/c1-6-15-10(12)8-7-9(11(13)14-2)16(3,4)5/h9H,6-8H2,1-5H3
InChIKeyRWEMPJCCLUSDCL-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.21
Rot. Bonds6

About 5-O-ethyl 1-O-methyl 2-trimethylsilylpentanedioate

5-O-ethyl 1-O-methyl 2-trimethylsilylpentanedioate (PubChem CID 14531358) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 5-O-ethyl 1-O-methyl 2-trimethylsilylpentanedioate.

Molecular Properties

Compound Name5-O-ethyl 1-O-methyl 2-trimethylsilylpentanedioate
PubChem CID14531358
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Name5-O-ethyl 1-O-methyl 2-trimethylsilylpentanedioate
SMILESCCOC(=O)CCC(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C11H22O4Si/c1-6-15-10(12)8-7-9(11(13)14-2)16(3,4)5/h9H,6-8H2,1-5H3
InChIKeyRWEMPJCCLUSDCL-UHFFFAOYSA-N
XLogP2.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-O-ethyl 1-O-methyl 2-trimethylsilylpentanedioate?
The IUPAC name of 5-O-ethyl 1-O-methyl 2-trimethylsilylpentanedioate (CID 14531358) is 5-O-ethyl 1-O-methyl 2-trimethylsilylpentanedioate.
What is the SMILES notation for 5-O-ethyl 1-O-methyl 2-trimethylsilylpentanedioate?
The canonical SMILES for 5-O-ethyl 1-O-methyl 2-trimethylsilylpentanedioate is CCOC(=O)CCC(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of 5-O-ethyl 1-O-methyl 2-trimethylsilylpentanedioate?
The InChIKey is RWEMPJCCLUSDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-6-15-10(12)8-7-9(11(13)14-2)16(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 5-O-ethyl 1-O-methyl 2-trimethylsilylpentanedioate?
5-O-ethyl 1-O-methyl 2-trimethylsilylpentanedioate has a molecular weight of 246.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-ethyl 1-O-methyl 2-trimethylsilylpentanedioate is sourced from PubChem (CID 14531358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).