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

C12H24O3Si — CID 10014732

IUPACmethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate
SMILESC=C(C(=O)OC)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9(11(13)14-6)10(2)15-16(7,8)12(3,4)5/h10H,1H2,2-8H3
InChIKeySDUJQYXUQUDICN-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.13
Rot. Bonds4

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

methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate (PubChem CID 10014732) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate
PubChem CID10014732
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate
SMILESC=C(C(=O)OC)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9(11(13)14-6)10(2)15-16(7,8)12(3,4)5/h10H,1H2,2-8H3
InChIKeySDUJQYXUQUDICN-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.13
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

methyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate
CID 87637853
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CID 23252672
Methyl alpha-(trimethylsiloxymethyl)acrylate
CID 122233374
Ethyl (z)-3-ethoxy-2-((triisopropylsilyl)methylene)butanoate
CID 164666861
Methyl 3-methoxy-2-methylidene-5-tri(propan-2-yl)silylpent-4-ynoate
CID 10968942
ethyl (Z)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-2-enoate
CID 11448683
Ethyl 2-methylidene-3-trimethylsilylperoxybutanoate
CID 10036935
ethyl 2-[(1R)-1-(t-butyldimethylsilyloxy)ethyl]acrylate
CID 11108029
Ethyl 2-((tert-butyldimethylsilyloxy)methyl)acrylate
CID 11276617
Ethyl 2-(1-ethoxyethyl)acrylate
CID 13762685
Ethyl 2-[1-(t-butyldimethylsilyloxy)ethyl]acrylate
CID 14634473
2-[1-(t-Butyldimethyl-silyloxy)ethyl]acrylate
CID 19099242

Frequently Asked Questions

What is the IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate?
The IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate (CID 10014732) is methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate.
What is the SMILES notation for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate?
The canonical SMILES for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate is C=C(C(=O)OC)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate?
The InChIKey is SDUJQYXUQUDICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-9(11(13)14-6)10(2)15-16(7,8)12(3,4)5/h10H,1H2,2-8H3.
What are the key properties of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate?
methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate has a molecular weight of 244.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate is sourced from PubChem (CID 10014732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).