methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate

C12H24O4Si — CID 10106693

IUPACmethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
SMILESCOC(=O)CC(CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(5,6)16-10(7-8-13)9-11(14)15-4/h8,10H,7,9H2,1-6H3
InChIKeyZEPDOYUWXXKUHZ-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.53
Rot. Bonds6

About methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate

methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate (PubChem CID 10106693) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
PubChem CID10106693
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
SMILESCOC(=O)CC(CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(5,6)16-10(7-8-13)9-11(14)15-4/h8,10H,7,9H2,1-6H3
InChIKeyZEPDOYUWXXKUHZ-UHFFFAOYSA-N
XLogP2.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(Tert-butyldimethylsiloxy)glutaric anhydride
CID 4141040
3-[[(1,1-Dimethyl)dimethylsily]oxy]pentanedioic acid monomethyl ester
CID 10934717
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 101860943
Dimethyl 3-([tert-butyl(dimethyl)silyl]oxy)pentanedioate
CID 560716
Diethyl 3-(tert-Butyldimethylsilyloxy)glutarate
CID 13327289
Methyl (3R)-3-(((1,1-dimethylethyl)dimethylsilyl)oxy)-5-oxopentanoate
CID 11065195
methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentanoate
CID 11266221
Dimethyl 3-triethylsilyloxypentanedioate
CID 11716231
tert-butyl (2R,3R,4R)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentanoate
CID 135012524
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanal
CID 135039433
[3-[Fluoro-bis(trimethylsilyl)silyl]oxy-5-oxopentyl] acetate
CID 10991798
3-Hydroxyglutaric acid, triTBDMS
CID 6430555

Frequently Asked Questions

What is the IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
The IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate (CID 10106693) is methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate.
What is the SMILES notation for methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
The canonical SMILES for methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate is COC(=O)CC(CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
The InChIKey is ZEPDOYUWXXKUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-12(2,3)17(5,6)16-10(7-8-13)9-11(14)15-4/h8,10H,7,9H2,1-6H3.
What are the key properties of methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate has a molecular weight of 260.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate is sourced from PubChem (CID 10106693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).