methyl 4-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylate

C13H26O4Si — CID 154629155

IUPACmethyl 4-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylate
SMILESCOC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CCO1
InChIInChI=1S/C13H26O4Si/c1-13(2,3)18(5,6)17-10-7-8-16-11(9-10)12(14)15-4/h10-11H,7-9H2,1-6H3
InChIKeyAIVRCSFGMLIZQP-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.73
Rot. Bonds3

About methyl 4-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylate

methyl 4-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylate (PubChem CID 154629155) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is methyl 4-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylate
PubChem CID154629155
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Namemethyl 4-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylate
SMILESCOC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CCO1
InChIInChI=1S/C13H26O4Si/c1-13(2,3)18(5,6)17-10-7-8-16-11(9-10)12(14)15-4/h10-11H,7-9H2,1-6H3
InChIKeyAIVRCSFGMLIZQP-UHFFFAOYSA-N
XLogP2.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]acetic acid
CID 11403954
((2S,4R)-4-(tert-butyldimethylsilyloxy)-6-oxotetrahydro-2H-pyran-2-yl)methyl acetate
CID 16113281
methyl (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate
CID 10991203
(1S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3,7-dioxabicyclo[4.1.0]heptan-2-one
CID 135037194
(4S,5S,6S)-4-methoxy-6-methyl-5-triethylsilyloxyoxan-2-one
CID 44208303
(4S,5R,6S)-4-methoxy-6-methyl-5-triethylsilyloxyoxan-2-one
CID 44208690
tert-Butyldimethylsilyl 2-acetoxyhexanoate
CID 91709836
4-Acetoxy-6-t-butyldimethylsilyloxymethyltetrahydro pyran-2-one
CID 19389465
3-[Tert-butyl(dimethyl)silyl]oxyoxan-2-one
CID 19900863
[tert-butyl(dimethyl)silyl] (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylate
CID 57133642
Ethyl 2-{[tert-butyl(dimethyl)silyl]oxy}hexanoate
CID 57438620
[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]methyl acetate
CID 58160168

Frequently Asked Questions

What is the IUPAC name of methyl 4-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylate?
The IUPAC name of methyl 4-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylate (CID 154629155) is methyl 4-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylate.
What is the SMILES notation for methyl 4-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylate?
The canonical SMILES for methyl 4-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylate is COC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CCO1.
What is the InChIKey of methyl 4-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylate?
The InChIKey is AIVRCSFGMLIZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-13(2,3)18(5,6)17-10-7-8-16-11(9-10)12(14)15-4/h10-11H,7-9H2,1-6H3.
What are the key properties of methyl 4-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylate?
methyl 4-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylate has a molecular weight of 274.43 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylate is sourced from PubChem (CID 154629155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).