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

C12H24O4Si — CID 14569496

IUPAC5-O-ethyl 1-O-methyl 2-methyl-2-trimethylsilylpentanedioate
SMILESCCOC(=O)CCC(C)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C12H24O4Si/c1-7-16-10(13)8-9-12(2,11(14)15-3)17(4,5)6/h7-9H2,1-6H3
InChIKeyBEETWMQJQKQJAN-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.60
Rot. Bonds6

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

5-O-ethyl 1-O-methyl 2-methyl-2-trimethylsilylpentanedioate (PubChem CID 14569496) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 5-O-ethyl 1-O-methyl 2-methyl-2-trimethylsilylpentanedioate.

Molecular Properties

Compound Name5-O-ethyl 1-O-methyl 2-methyl-2-trimethylsilylpentanedioate
PubChem CID14569496
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name5-O-ethyl 1-O-methyl 2-methyl-2-trimethylsilylpentanedioate
SMILESCCOC(=O)CCC(C)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C12H24O4Si/c1-7-16-10(13)8-9-12(2,11(14)15-3)17(4,5)6/h7-9H2,1-6H3
InChIKeyBEETWMQJQKQJAN-UHFFFAOYSA-N
XLogP2.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.60
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-methyl-2-trimethylsilylpentanedioate?
The IUPAC name of 5-O-ethyl 1-O-methyl 2-methyl-2-trimethylsilylpentanedioate (CID 14569496) is 5-O-ethyl 1-O-methyl 2-methyl-2-trimethylsilylpentanedioate.
What is the SMILES notation for 5-O-ethyl 1-O-methyl 2-methyl-2-trimethylsilylpentanedioate?
The canonical SMILES for 5-O-ethyl 1-O-methyl 2-methyl-2-trimethylsilylpentanedioate is CCOC(=O)CCC(C)(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of 5-O-ethyl 1-O-methyl 2-methyl-2-trimethylsilylpentanedioate?
The InChIKey is BEETWMQJQKQJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-7-16-10(13)8-9-12(2,11(14)15-3)17(4,5)6/h7-9H2,1-6H3.
What are the key properties of 5-O-ethyl 1-O-methyl 2-methyl-2-trimethylsilylpentanedioate?
5-O-ethyl 1-O-methyl 2-methyl-2-trimethylsilylpentanedioate has a molecular weight of 260.41 g/mol, XLogP of 2.60, 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-methyl-2-trimethylsilylpentanedioate is sourced from PubChem (CID 14569496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).