5-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxypentanedioate

C13H28O5Si2 — CID 91733270

IUPAC5-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxypentanedioate
SMILESCCOC(=O)CCC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H28O5Si2/c1-8-16-12(14)10-9-11(17-19(2,3)4)13(15)18-20(5,6)7/h11H,8-10H2,1-7H3
InChIKeyURHMPYIMLHMWMW-UHFFFAOYSA-N
MW320.53 g/mol
LogP2.93
Rot. Bonds8

About 5-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxypentanedioate

5-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxypentanedioate (PubChem CID 91733270) has the molecular formula C13H28O5Si2 and a molecular weight of 320.53 g/mol. Its IUPAC name is 5-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxypentanedioate.

Molecular Properties

Compound Name5-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxypentanedioate
PubChem CID91733270
Molecular FormulaC13H28O5Si2
Molecular Weight320.53 g/mol
Exact Mass320.15
IUPAC Name5-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxypentanedioate
SMILESCCOC(=O)CCC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H28O5Si2/c1-8-16-12(14)10-9-11(17-19(2,3)4)13(15)18-20(5,6)7/h11H,8-10H2,1-7H3
InChIKeyURHMPYIMLHMWMW-UHFFFAOYSA-N
XLogP2.93
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.53
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Pentanedioic acid, 2-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 521646
2-Hydroxyglutarate, TBDMS
CID 634802
1-Ethyl 5-(trimethylsilyl) 2-((trimethylsilyl)oxy)pentanedioate
CID 91713346
Pentanedioic acid, 2-[(trimethylsilyl)oxy]-, dimethyl ester
CID 553342
3-Deoxy-threo-pentaric acid, TMS
CID 523360
3-Deoxy-threo-pentonic acid, tetrakis-TMS
CID 523370
3-O-Methylarabinaric acid, TMS
CID 523372
3-Deoxy-erythro-pentonic acid, 1,4-lactone, TMS
CID 6427162
3-Deoxy-threo-pentonic acid, 1,4-lactone, TMS
CID 6427164
3-Deoxy-arabino-hexonic acid, 1,4-lactone, TMS
CID 6432808
3-Deoxy-erythro-pentaric acid, TMS
CID 91746738
3-Deoxy-erythro-pentonic acid, tetrakis-TMS
CID 91746739

Frequently Asked Questions

What is the IUPAC name of 5-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxypentanedioate?
The IUPAC name of 5-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxypentanedioate (CID 91733270) is 5-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxypentanedioate.
What is the SMILES notation for 5-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxypentanedioate?
The canonical SMILES for 5-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxypentanedioate is CCOC(=O)CCC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of 5-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxypentanedioate?
The InChIKey is URHMPYIMLHMWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O5Si2/c1-8-16-12(14)10-9-11(17-19(2,3)4)13(15)18-20(5,6)7/h11H,8-10H2,1-7H3.
What are the key properties of 5-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxypentanedioate?
5-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxypentanedioate has a molecular weight of 320.53 g/mol, XLogP of 2.93, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-ethyl 1-O-trimethylsilyl 2-trimethylsilyloxypentanedioate is sourced from PubChem (CID 91733270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).