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

C13H28O5Si2 — CID 91713346

IUPAC1-O-ethyl 5-O-trimethylsilyl 2-trimethylsilyloxypentanedioate
SMILESCCOC(=O)C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H28O5Si2/c1-8-16-13(15)11(17-19(2,3)4)9-10-12(14)18-20(5,6)7/h11H,8-10H2,1-7H3
InChIKeyFESPIRJCLCZERS-UHFFFAOYSA-N
MW320.53 g/mol
LogP2.93
Rot. Bonds8

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

1-O-ethyl 5-O-trimethylsilyl 2-trimethylsilyloxypentanedioate (PubChem CID 91713346) has the molecular formula C13H28O5Si2 and a molecular weight of 320.53 g/mol. Its IUPAC name is 1-O-ethyl 5-O-trimethylsilyl 2-trimethylsilyloxypentanedioate.

Molecular Properties

Compound Name1-O-ethyl 5-O-trimethylsilyl 2-trimethylsilyloxypentanedioate
PubChem CID91713346
Molecular FormulaC13H28O5Si2
Molecular Weight320.53 g/mol
Exact Mass320.15
IUPAC Name1-O-ethyl 5-O-trimethylsilyl 2-trimethylsilyloxypentanedioate
SMILESCCOC(=O)C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H28O5Si2/c1-8-16-13(15)11(17-19(2,3)4)9-10-12(14)18-20(5,6)7/h11H,8-10H2,1-7H3
InChIKeyFESPIRJCLCZERS-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'}

Analyze 1-O-ethyl 5-O-trimethylsilyl 2-trimethylsilyloxypentanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pentanedioic acid, 2-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 521646
(3S,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 91177422
Arabinonic acid, 1,4-lactone, TMS
CID 523387
Lyxonic acid, 1,4-lactone, TMS
CID 6427169
5-Ethyl 1-(trimethylsilyl) 2-((trimethylsilyl)oxy)pentanedioate
CID 91733270
Pentanedioic acid, 2-[(trimethylsilyl)oxy]-, dimethyl ester
CID 553342
(3R,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 67190955
2-O-Methylxylaric acid, TMS
CID 523343
3-Deoxy-threo-pentaric acid, TMS
CID 523360
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

Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 5-O-trimethylsilyl 2-trimethylsilyloxypentanedioate?
The IUPAC name of 1-O-ethyl 5-O-trimethylsilyl 2-trimethylsilyloxypentanedioate (CID 91713346) is 1-O-ethyl 5-O-trimethylsilyl 2-trimethylsilyloxypentanedioate.
What is the SMILES notation for 1-O-ethyl 5-O-trimethylsilyl 2-trimethylsilyloxypentanedioate?
The canonical SMILES for 1-O-ethyl 5-O-trimethylsilyl 2-trimethylsilyloxypentanedioate is CCOC(=O)C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 1-O-ethyl 5-O-trimethylsilyl 2-trimethylsilyloxypentanedioate?
The InChIKey is FESPIRJCLCZERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O5Si2/c1-8-16-13(15)11(17-19(2,3)4)9-10-12(14)18-20(5,6)7/h11H,8-10H2,1-7H3.
What are the key properties of 1-O-ethyl 5-O-trimethylsilyl 2-trimethylsilyloxypentanedioate?
1-O-ethyl 5-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 1-O-ethyl 5-O-trimethylsilyl 2-trimethylsilyloxypentanedioate is sourced from PubChem (CID 91713346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).