ethyl (Z)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-2-enoate

C14H28O3Si — CID 11448683

IUPACethyl (Z)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-2-enoate
SMILESC/C=C(\C(=O)OCC)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-9-12(13(15)16-10-2)11(3)17-18(7,8)14(4,5)6/h9,11H,10H2,1-8H3/b12-9-
InChIKeyYNAQWQGARUQGKC-XFXZXTDPSA-N
MW272.46 g/mol
LogP3.91
Rot. Bonds5

About ethyl (Z)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-2-enoate

ethyl (Z)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-2-enoate (PubChem CID 11448683) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is ethyl (Z)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-2-enoate
PubChem CID11448683
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Nameethyl (Z)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-2-enoate
SMILESC/C=C(\C(=O)OCC)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-9-12(13(15)16-10-2)11(3)17-18(7,8)14(4,5)6/h9,11H,10H2,1-8H3/b12-9-
InChIKeyYNAQWQGARUQGKC-XFXZXTDPSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.91
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 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate
CID 10014732
(Trimethylsilyloxy)cyclohexa-1,4-diene-1,2-dicarboxylic acid dimethyl ester
CID 12405273
ethyl (E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 10901315
ethyl (2E,4S)-4-[(tert-butyldimethylsilyl)oxy]pent-2-enoate
CID 11118755
ethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylpent-2-enoate
CID 60153401
Ethyl 2-acetyl-5-(trimethylsilyl)pent-2-en-4-ynoate
CID 74041262
diethyl (E)-5-methylidene-3-trimethylsilylhex-2-enedioate
CID 101412878
(S,e)-ethyl 6-(t-butyldimethylsilyloxy)hept-2-enoate
CID 129843282
butyl 2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]acetate
CID 146162649
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 10401049
Methyl 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carboxylate
CID 10978087
Jipmhcmbhmjngc-ktkrtigzsa-
CID 13555694

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-2-enoate?
The IUPAC name of ethyl (Z)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-2-enoate (CID 11448683) is ethyl (Z)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-2-enoate.
What is the SMILES notation for ethyl (Z)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-2-enoate?
The canonical SMILES for ethyl (Z)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-2-enoate is C/C=C(\C(=O)OCC)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (Z)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-2-enoate?
The InChIKey is YNAQWQGARUQGKC-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-9-12(13(15)16-10-2)11(3)17-18(7,8)14(4,5)6/h9,11H,10H2,1-8H3/b12-9-.
What are the key properties of ethyl (Z)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-2-enoate?
ethyl (Z)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-2-enoate has a molecular weight of 272.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-2-enoate is sourced from PubChem (CID 11448683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).