methyl 3-trimethylsilyloxypentanoate

C9H20O3Si — CID 139928241

IUPACmethyl 3-trimethylsilyloxypentanoate
SMILESCCC(CC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C9H20O3Si/c1-6-8(7-9(10)11-2)12-13(3,4)5/h8H,6-7H2,1-5H3
InChIKeyIYUQWRAVJLIMOT-UHFFFAOYSA-N
MW204.34 g/mol
LogP2.18
Rot. Bonds5

About methyl 3-trimethylsilyloxypentanoate

methyl 3-trimethylsilyloxypentanoate (PubChem CID 139928241) has the molecular formula C9H20O3Si and a molecular weight of 204.34 g/mol. Its IUPAC name is methyl 3-trimethylsilyloxypentanoate.

Molecular Properties

Compound Namemethyl 3-trimethylsilyloxypentanoate
PubChem CID139928241
Molecular FormulaC9H20O3Si
Molecular Weight204.34 g/mol
Exact Mass204.12
IUPAC Namemethyl 3-trimethylsilyloxypentanoate
SMILESCCC(CC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C9H20O3Si/c1-6-8(7-9(10)11-2)12-13(3,4)5/h8H,6-7H2,1-5H3
InChIKeyIYUQWRAVJLIMOT-UHFFFAOYSA-N
XLogP2.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 52.18
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

beta-Hydroxybutyric acid (tms)
CID 521577
Butanoic acid, 3-trimethylsilyloxy-, ethyl ester
CID 554460
Methyl (R)-3-[(tert-Butyldimethylsilyl)oxy]butanoate
CID 11009839
Butanoic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, ethyl ester, (3R)-
CID 12914545
4-Ethyl-3-trimethylsilyloxetan-2-one
CID 327320
Ethyl 3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 12914544
Methyl 2,2,4-trimethyl-3-trimethylsiloxyvalerate
CID 14763594
3-Trimethylsiloxyvaleric acid, trimethylsilyl ester
CID 522723
3-Trimethylsiloxy(trimethylsilyl)caproate
CID 526006
Trimethylsilyl 2-methyl-3-[(trimethylsilyl)oxy]pentanoate
CID 528643
ethyl (S)-3-t-butyldimethylsilyloxybutanoate
CID 11817463
trimethylsilyl (3R)-3-trimethylsilyloxybutanoate
CID 13724699

Frequently Asked Questions

What is the IUPAC name of methyl 3-trimethylsilyloxypentanoate?
The IUPAC name of methyl 3-trimethylsilyloxypentanoate (CID 139928241) is methyl 3-trimethylsilyloxypentanoate.
What is the SMILES notation for methyl 3-trimethylsilyloxypentanoate?
The canonical SMILES for methyl 3-trimethylsilyloxypentanoate is CCC(CC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl 3-trimethylsilyloxypentanoate?
The InChIKey is IYUQWRAVJLIMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3Si/c1-6-8(7-9(10)11-2)12-13(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of methyl 3-trimethylsilyloxypentanoate?
methyl 3-trimethylsilyloxypentanoate has a molecular weight of 204.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-trimethylsilyloxypentanoate is sourced from PubChem (CID 139928241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).