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

C13H26O4Si — CID 140509933

IUPACmethyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate
SMILESC=CCO[C@@H](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/t11-/m0/s1
InChIKeyCBUVJUUZTFMZFO-NSHDSACASA-N
MW274.43 g/mol
LogP2.75
Rot. Bonds7

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

methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate (PubChem CID 140509933) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate
PubChem CID140509933
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Namemethyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate
SMILESC=CCO[C@@H](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/t11-/m0/s1
InChIKeyCBUVJUUZTFMZFO-NSHDSACASA-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

methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethylpropanoylamino)oxypropanoate
CID 46939904
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropan-1-ol
CID 125487080
[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102073389
methyl (2R,3R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 134934318
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropanoate
CID 59279534
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypentane-2,3-dione
CID 121003661
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxybut-3-en-2-ol
CID 102511744
methyl (2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate;2,2,2-trifluoroacetic acid
CID 170908001
[(3S,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-en-3-yl]carbamic acid
CID 87421525
ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate
CID 11558121
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-methoxypropan-2-yl]oxypropanoate
CID 59279555

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate?
The IUPAC name of methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate (CID 140509933) is methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate.
What is the SMILES notation for methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate?
The canonical SMILES for methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate is C=CCO[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate?
The InChIKey is CBUVJUUZTFMZFO-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate?
methyl (2S)-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 (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate is sourced from PubChem (CID 140509933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).