3-trimethylsilylpropyl 4-ethoxy-2-methyl-5-propoxypentanoate

C17H36O4Si — CID 23527399

IUPAC3-trimethylsilylpropyl 4-ethoxy-2-methyl-5-propoxypentanoate
SMILESCCCOCC(CC(C)C(=O)OCCC[Si](C)(C)C)OCC
InChIInChI=1S/C17H36O4Si/c1-7-10-19-14-16(20-8-2)13-15(3)17(18)21-11-9-12-22(4,5)6/h15-16H,7-14H2,1-6H3
InChIKeyOOAXRTABJHBAQF-UHFFFAOYSA-N
MW332.56 g/mol
LogP4.12
Rot. Bonds13

About 3-trimethylsilylpropyl 4-ethoxy-2-methyl-5-propoxypentanoate

3-trimethylsilylpropyl 4-ethoxy-2-methyl-5-propoxypentanoate (PubChem CID 23527399) has the molecular formula C17H36O4Si and a molecular weight of 332.56 g/mol. Its IUPAC name is 3-trimethylsilylpropyl 4-ethoxy-2-methyl-5-propoxypentanoate.

Molecular Properties

Compound Name3-trimethylsilylpropyl 4-ethoxy-2-methyl-5-propoxypentanoate
PubChem CID23527399
Molecular FormulaC17H36O4Si
Molecular Weight332.56 g/mol
Exact Mass332.24
IUPAC Name3-trimethylsilylpropyl 4-ethoxy-2-methyl-5-propoxypentanoate
SMILESCCCOCC(CC(C)C(=O)OCCC[Si](C)(C)C)OCC
InChIInChI=1S/C17H36O4Si/c1-7-10-19-14-16(20-8-2)13-15(3)17(18)21-11-9-12-22(4,5)6/h15-16H,7-14H2,1-6H3
InChIKeyOOAXRTABJHBAQF-UHFFFAOYSA-N
XLogP4.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.56
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 10729014
[(2S,4S)-4-methyl-5-oxo-2-triethylsilyloxypentyl] 2,2-dimethylpropanoate
CID 25108327
(4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 9999501
3-[Hydroxy(dimethoxy)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 21136752
3-[[3-(4-Ethoxy-2-methyl-5-propoxypentanoyl)oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 23527397
3-[Hydroxy(dimethyl)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 23527398
3-Trimethoxysilylpropyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate
CID 23594393
Butyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate
CID 58761274
Propyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 59086296
methyl (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylate
CID 67078210
Methyl 5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylate
CID 67078211
methyl (3S,5S)-5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylate
CID 67078213

Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilylpropyl 4-ethoxy-2-methyl-5-propoxypentanoate?
The IUPAC name of 3-trimethylsilylpropyl 4-ethoxy-2-methyl-5-propoxypentanoate (CID 23527399) is 3-trimethylsilylpropyl 4-ethoxy-2-methyl-5-propoxypentanoate.
What is the SMILES notation for 3-trimethylsilylpropyl 4-ethoxy-2-methyl-5-propoxypentanoate?
The canonical SMILES for 3-trimethylsilylpropyl 4-ethoxy-2-methyl-5-propoxypentanoate is CCCOCC(CC(C)C(=O)OCCC[Si](C)(C)C)OCC.
What is the InChIKey of 3-trimethylsilylpropyl 4-ethoxy-2-methyl-5-propoxypentanoate?
The InChIKey is OOAXRTABJHBAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4Si/c1-7-10-19-14-16(20-8-2)13-15(3)17(18)21-11-9-12-22(4,5)6/h15-16H,7-14H2,1-6H3.
What are the key properties of 3-trimethylsilylpropyl 4-ethoxy-2-methyl-5-propoxypentanoate?
3-trimethylsilylpropyl 4-ethoxy-2-methyl-5-propoxypentanoate has a molecular weight of 332.56 g/mol, XLogP of 4.12, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylpropyl 4-ethoxy-2-methyl-5-propoxypentanoate is sourced from PubChem (CID 23527399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).