ethyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate

C13H28O3Si — CID 553006

IUPACethyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate
SMILESCCOC(=O)C(CC)C(C)(CC)O[Si](C)(C)C
InChIInChI=1S/C13H28O3Si/c1-8-11(12(14)15-10-3)13(4,9-2)16-17(5,6)7/h11H,8-10H2,1-7H3
InChIKeyXSKDHCWCVGRQMG-UHFFFAOYSA-N
MW260.45 g/mol
LogP3.60
Rot. Bonds7

About ethyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate

ethyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate (PubChem CID 553006) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is ethyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate.

Molecular Properties

Compound Nameethyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate
PubChem CID553006
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Nameethyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate
SMILESCCOC(=O)C(CC)C(C)(CC)O[Si](C)(C)C
InChIInChI=1S/C13H28O3Si/c1-8-11(12(14)15-10-3)13(4,9-2)16-17(5,6)7/h11H,8-10H2,1-7H3
InChIKeyXSKDHCWCVGRQMG-UHFFFAOYSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Mevalonic lactone, trimethylsilyl
CID 528660
methyl (2R,3R)-2-methyl-3-triethylsilyloxypentanoate
CID 16731925
Ethyl 3-trimethylsilyloxy-3-methyl valerate
CID 552392
Ethyl 2-ethyl-3-trimethylsilyloxyvalerate
CID 552933
2-Ethyl-3-trimethylsilyloxy(trimethylsilyl)valerate
CID 552948
Ethyl 2-methyl-3-trimethylsiloxyvalerate
CID 552954
Trimethylsilyl 2-ethyl-3-trimethylsilyloxy-4-methyl-valerate
CID 553005
2-Ethyl-3-trimethylsilyloxy-3-methylvaleric acid, trimethylsilyl ester
CID 553015
Pentanoic acid, 4-methyl-3-(t-butyldimethylsilyloxy)-, methyl ester
CID 608938
methyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanoate
CID 21604458
Methyl 2,4-dimethyl-3-trimethylsilyloxypentanoate
CID 20459984
Methyl 2,2,3,5-tetramethyl-3-[(trimethylsilyl)oxy]hexanoate
CID 20459988

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate?
The IUPAC name of ethyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate (CID 553006) is ethyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate.
What is the SMILES notation for ethyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate?
The canonical SMILES for ethyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate is CCOC(=O)C(CC)C(C)(CC)O[Si](C)(C)C.
What is the InChIKey of ethyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate?
The InChIKey is XSKDHCWCVGRQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-8-11(12(14)15-10-3)13(4,9-2)16-17(5,6)7/h11H,8-10H2,1-7H3.
What are the key properties of ethyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate?
ethyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate has a molecular weight of 260.45 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate is sourced from PubChem (CID 553006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).