3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate

C11H21O3Si- — CID 19099242

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate
SMILESC=C(C(=O)[O-])C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O3Si/c1-8(10(12)13)9(2)14-15(6,7)11(3,4)5/h9H,1H2,2-7H3,(H,12,13)/p-1
InChIKeyUUFKYBAJIZRFQO-UHFFFAOYSA-M
MW229.37 g/mol
LogP1.70
Rot. Bonds4

About 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate

3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate (PubChem CID 19099242) has the molecular formula C11H21O3Si- and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate
PubChem CID19099242
Molecular FormulaC11H21O3Si-
Molecular Weight229.37 g/mol
Exact Mass229.13
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate
SMILESC=C(C(=O)[O-])C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O3Si/c1-8(10(12)13)9(2)14-15(6,7)11(3,4)5/h9H,1H2,2-7H3,(H,12,13)/p-1
InChIKeyUUFKYBAJIZRFQO-UHFFFAOYSA-M
XLogP1.70
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(((tert-Butyl(dimethyl)silyl)oxy)methyl)-3-buten-2-one
CID 376774
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate
CID 10014732
Ethyl (z)-3-ethoxy-2-((triisopropylsilyl)methylene)butanoate
CID 164666861
Tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate
CID 9994185
Methyl 3-methoxy-2-methylidene-5-tri(propan-2-yl)silylpent-4-ynoate
CID 10968942
Ethyl 2-methylidene-3-trimethylsilylperoxybutanoate
CID 10036935
ethyl 2-[(1R)-1-(t-butyldimethylsilyloxy)ethyl]acrylate
CID 11108029
Ethyl 2-[1-(t-butyldimethylsilyloxy)ethyl]acrylate
CID 14634473
3-[Tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoic acid
CID 19099243
Ethyl 2-methylidene-3-trimethylsilylperoxybutanoate;propane
CID 23170078
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoic acid
CID 88444720
3-[Dimethyl(trimethylsilyl)silyl]oxy-2-methylidenebutanoic acid
CID 90331859

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate (CID 19099242) is 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate is C=C(C(=O)[O-])C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate?
The InChIKey is UUFKYBAJIZRFQO-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H22O3Si/c1-8(10(12)13)9(2)14-15(6,7)11(3,4)5/h9H,1H2,2-7H3,(H,12,13)/p-1.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate?
3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate has a molecular weight of 229.37 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate is sourced from PubChem (CID 19099242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).