5-O-ethyl 1-O-methyl 2-methyl-2,4-bis(trimethylsilyl)pentanedioate

C15H32O4Si2 — CID 14569488

IUPAC5-O-ethyl 1-O-methyl 2-methyl-2,4-bis(trimethylsilyl)pentanedioate
SMILESCCOC(=O)C(CC(C)(C(=O)OC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C15H32O4Si2/c1-10-19-13(16)12(20(4,5)6)11-15(2,14(17)18-3)21(7,8)9/h12H,10-11H2,1-9H3
InChIKeyMPSMLKBLGNWXAQ-UHFFFAOYSA-N
MW332.59 g/mol
LogP3.92
Rot. Bonds7

About 5-O-ethyl 1-O-methyl 2-methyl-2,4-bis(trimethylsilyl)pentanedioate

5-O-ethyl 1-O-methyl 2-methyl-2,4-bis(trimethylsilyl)pentanedioate (PubChem CID 14569488) has the molecular formula C15H32O4Si2 and a molecular weight of 332.59 g/mol. Its IUPAC name is 5-O-ethyl 1-O-methyl 2-methyl-2,4-bis(trimethylsilyl)pentanedioate.

Molecular Properties

Compound Name5-O-ethyl 1-O-methyl 2-methyl-2,4-bis(trimethylsilyl)pentanedioate
PubChem CID14569488
Molecular FormulaC15H32O4Si2
Molecular Weight332.59 g/mol
Exact Mass332.18
IUPAC Name5-O-ethyl 1-O-methyl 2-methyl-2,4-bis(trimethylsilyl)pentanedioate
SMILESCCOC(=O)C(CC(C)(C(=O)OC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C15H32O4Si2/c1-10-19-13(16)12(20(4,5)6)11-15(2,14(17)18-3)21(7,8)9/h12H,10-11H2,1-9H3
InChIKeyMPSMLKBLGNWXAQ-UHFFFAOYSA-N
XLogP3.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.59
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl 2-ethyl-2,4-bis(trimethylsilyl)pentanedioate
CID 14435995
5-O-ethyl 1-O-methyl 2-trimethylsilylpentanedioate
CID 14531358
1-O-ethyl 5-O-methyl 2,4-bis(trimethylsilyl)pentanedioate
CID 14531365
5-O-ethyl 1-O-methyl 2-methyl-2-trimethylsilylpentanedioate
CID 14569496
methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
CID 11737070
4-Methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid
CID 22086156
1-O-methyl 5-O-(3-trimethylsilylprop-2-ynyl) 2,2,4,4-tetramethylpentanedioate
CID 58193638
[5-[3-[Tert-butyl(dimethyl)silyl]oxypropoxy]-5-oxopentyl] 5-methoxypentanoate
CID 58454753
1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-[2-(2-methoxyethoxy)ethyl] 2,2,4,4-tetramethylpentanedioate
CID 59046597
3-(S)-Methyl-pentanedioic acid methyl ester 2-trimethylsilanyl-ethyl ester
CID 86665258
1-O-methyl 5-O-(2-trimethylsilylethyl) 3-methylpentanedioate
CID 87087805
Bis(2-trimethylsilylethyl) 3,3-dimethylpentanedioate
CID 87139235

Frequently Asked Questions

What is the IUPAC name of 5-O-ethyl 1-O-methyl 2-methyl-2,4-bis(trimethylsilyl)pentanedioate?
The IUPAC name of 5-O-ethyl 1-O-methyl 2-methyl-2,4-bis(trimethylsilyl)pentanedioate (CID 14569488) is 5-O-ethyl 1-O-methyl 2-methyl-2,4-bis(trimethylsilyl)pentanedioate.
What is the SMILES notation for 5-O-ethyl 1-O-methyl 2-methyl-2,4-bis(trimethylsilyl)pentanedioate?
The canonical SMILES for 5-O-ethyl 1-O-methyl 2-methyl-2,4-bis(trimethylsilyl)pentanedioate is CCOC(=O)C(CC(C)(C(=O)OC)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 5-O-ethyl 1-O-methyl 2-methyl-2,4-bis(trimethylsilyl)pentanedioate?
The InChIKey is MPSMLKBLGNWXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4Si2/c1-10-19-13(16)12(20(4,5)6)11-15(2,14(17)18-3)21(7,8)9/h12H,10-11H2,1-9H3.
What are the key properties of 5-O-ethyl 1-O-methyl 2-methyl-2,4-bis(trimethylsilyl)pentanedioate?
5-O-ethyl 1-O-methyl 2-methyl-2,4-bis(trimethylsilyl)pentanedioate has a molecular weight of 332.59 g/mol, XLogP of 3.92, 7 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-2,4-bis(trimethylsilyl)pentanedioate is sourced from PubChem (CID 14569488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).