methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate

C13H26O4Si — CID 91207977

IUPACmethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate
SMILESC=CCOC(CO[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C13H26O4Si/c1-8-9-16-11(12(14)15-5)10-17-18(6,7)13(2,3)4/h8,11H,1,9-10H2,2-7H3
InChIKeyCBUVJUUZTFMZFO-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.75
Rot. Bonds7

About methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate

methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate (PubChem CID 91207977) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate
PubChem CID91207977
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate
SMILESC=CCOC(CO[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C13H26O4Si/c1-8-9-16-11(12(14)15-5)10-17-18(6,7)13(2,3)4/h8,11H,1,9-10H2,2-7H3
InChIKeyCBUVJUUZTFMZFO-UHFFFAOYSA-N
XLogP2.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate
CID 12179258
1-O-prop-2-enyl 3-O-(2-trimethylsilylethyl) 2-oxopropanedioate
CID 13686257
Prop-2-enyl 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate
CID 23251677
2-Allyloxypropionic acid trimethylsilyl ester
CID 54107693
CID 58879084
CID 58879084
2-Propenyl 2-(trimethylsilyloxy)propionate
CID 86667393
Tri(propan-2-yl)silyl 2-prop-2-enoyloxypropanoate
CID 87706192
3-[Tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid
CID 87967479
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid
CID 87967553
Bis(prop-2-enyl) 2-triethylsilyloxybutanedioate
CID 88550279
Bis(prop-2-enyl) 2-trimethylsilyloxybutanedioate
CID 88550420
1-O-prop-2-enyl 3-O-(1-trimethylsilylethyl) 2-oxopropanedioate
CID 88597626

Frequently Asked Questions

What is the IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate?
The IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate (CID 91207977) is methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate.
What is the SMILES notation for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate?
The canonical SMILES for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate is C=CCOC(CO[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate?
The InChIKey is CBUVJUUZTFMZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-8-9-16-11(12(14)15-5)10-17-18(6,7)13(2,3)4/h8,11H,1,9-10H2,2-7H3.
What are the key properties of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate?
methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate has a molecular weight of 274.43 g/mol, XLogP of 2.75, 7 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-2-prop-2-enoxypropanoate is sourced from PubChem (CID 91207977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).