methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentanoate

C12H24O4Si — CID 101365194

IUPACmethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentanoate
SMILESCOC(=O)C(=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(5,6)16-9-7-8-10(13)11(14)15-4/h7-9H2,1-6H3
InChIKeyCTHBMQCRVPTPDE-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.53
Rot. Bonds6

About methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentanoate

methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentanoate (PubChem CID 101365194) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentanoate
PubChem CID101365194
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Namemethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentanoate
SMILESCOC(=O)C(=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(5,6)16-9-7-8-10(13)11(14)15-4/h7-9H2,1-6H3
InChIKeyCTHBMQCRVPTPDE-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-oxo-5-triethylsilyloxyhexanoate
CID 11334833
[5-[Tert-butyl(dimethyl)silyl]oxy-2-oxopentyl] acetate
CID 134858788
Ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoate
CID 134870669
tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxopentanoate
CID 135002604
Ethyl 2-oxo-5-tri(propan-2-yl)silyloxypentanoate
CID 87894585
Methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxopentanoate
CID 88490208
Bis(1-trimethylsilylethyl) 2-oxopentanedioate
CID 145777145
2-Oxo-5-(2-trimethylsilylethoxy)pentanoic acid
CID 153951927
tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-2-oxopentanoate
CID 16220561
4,5-Dioxo-5-(1-trimethylsilylethoxy)pentanoate
CID 20030932
4,5-Dioxo-5-[2-(trimethylsilyl)ethoxy]pentanoate
CID 71338744
tert-butyl (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-2-oxopentanoate
CID 135705245

Frequently Asked Questions

What is the IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentanoate?
The IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentanoate (CID 101365194) is methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentanoate.
What is the SMILES notation for methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentanoate?
The canonical SMILES for methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentanoate is COC(=O)C(=O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentanoate?
The InChIKey is CTHBMQCRVPTPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-12(2,3)17(5,6)16-9-7-8-10(13)11(14)15-4/h7-9H2,1-6H3.
What are the key properties of methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentanoate?
methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-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 5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentanoate is sourced from PubChem (CID 101365194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).