1-O-methyl 3-O-trimethylsilyl 2-ethylpropanedioate

C9H18O4Si — CID 552626

IUPAC1-O-methyl 3-O-trimethylsilyl 2-ethylpropanedioate
SMILESCCC(C(=O)OC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H18O4Si/c1-6-7(8(10)12-2)9(11)13-14(3,4)5/h7H,6H2,1-5H3
InChIKeyZUDUNJZCMVWVFU-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.56
Rot. Bonds4

About 1-O-methyl 3-O-trimethylsilyl 2-ethylpropanedioate

1-O-methyl 3-O-trimethylsilyl 2-ethylpropanedioate (PubChem CID 552626) has the molecular formula C9H18O4Si and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-O-methyl 3-O-trimethylsilyl 2-ethylpropanedioate.

Molecular Properties

Compound Name1-O-methyl 3-O-trimethylsilyl 2-ethylpropanedioate
PubChem CID552626
Molecular FormulaC9H18O4Si
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name1-O-methyl 3-O-trimethylsilyl 2-ethylpropanedioate
SMILESCCC(C(=O)OC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H18O4Si/c1-6-7(8(10)12-2)9(11)13-14(3,4)5/h7H,6H2,1-5H3
InChIKeyZUDUNJZCMVWVFU-UHFFFAOYSA-N
XLogP1.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Ethylmalonic acid, bis(trimethylsilyl) ester
CID 521657
Trimethylsilyl 2-([(trimethylsilyl)oxy]methyl)butanoate
CID 528640
Bis[tert-butyl(dimethyl)silyl] 2-ethylmalonate
CID 553064
Ethyltrimethylsilyl methylmalonate
CID 552402
Ethylmalonate, ethyltrimethylsilyl ester
CID 554490
2-Methylbutanoic acid, 3-(t-butyldimethylsilyloxy)-, methyl ester
CID 560751
Methyl 3-oxo-2-(trimethylsilylmethyl)butanoate
CID 12607714
2-Methylacetoacetic acid, mono-TMS
CID 91749585
Ethyl(trimethylsilyl) ethylmethylmalonate
CID 552383
Ethyltrimethylsilyl diethylmalonate
CID 552577
Ethylmethylmalonic acid, bis(trimethylsilyl) ester
CID 589985
Dimethyl 2-(trimethylsilylmethyl)propanedioate
CID 106324338

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 3-O-trimethylsilyl 2-ethylpropanedioate?
The IUPAC name of 1-O-methyl 3-O-trimethylsilyl 2-ethylpropanedioate (CID 552626) is 1-O-methyl 3-O-trimethylsilyl 2-ethylpropanedioate.
What is the SMILES notation for 1-O-methyl 3-O-trimethylsilyl 2-ethylpropanedioate?
The canonical SMILES for 1-O-methyl 3-O-trimethylsilyl 2-ethylpropanedioate is CCC(C(=O)OC)C(=O)O[Si](C)(C)C.
What is the InChIKey of 1-O-methyl 3-O-trimethylsilyl 2-ethylpropanedioate?
The InChIKey is ZUDUNJZCMVWVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4Si/c1-6-7(8(10)12-2)9(11)13-14(3,4)5/h7H,6H2,1-5H3.
What are the key properties of 1-O-methyl 3-O-trimethylsilyl 2-ethylpropanedioate?
1-O-methyl 3-O-trimethylsilyl 2-ethylpropanedioate has a molecular weight of 218.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 3-O-trimethylsilyl 2-ethylpropanedioate is sourced from PubChem (CID 552626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).