ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pent-2-enoate

C15H27NO3Si — CID 42643343

IUPACethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pent-2-enoate
SMILESCCOC(=O)/C(=C/CCO[Si](C)(C)C(C)(C)C)CC#N
InChIInChI=1S/C15H27NO3Si/c1-7-18-14(17)13(10-11-16)9-8-12-19-20(5,6)15(2,3)4/h9H,7-8,10,12H2,1-6H3/b13-9+
InChIKeyALYHHSIAEGHGSY-UKTHLTGXSA-N
MW297.47 g/mol
LogP3.80
Rot. Bonds7

About ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pent-2-enoate

ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pent-2-enoate (PubChem CID 42643343) has the molecular formula C15H27NO3Si and a molecular weight of 297.47 g/mol. Its IUPAC name is ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pent-2-enoate
PubChem CID42643343
Molecular FormulaC15H27NO3Si
Molecular Weight297.47 g/mol
Exact Mass297.18
IUPAC Nameethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pent-2-enoate
SMILESCCOC(=O)/C(=C/CCO[Si](C)(C)C(C)(C)C)CC#N
InChIInChI=1S/C15H27NO3Si/c1-7-18-14(17)13(10-11-16)9-8-12-19-20(5,6)15(2,3)4/h9H,7-8,10,12H2,1-6H3/b13-9+
InChIKeyALYHHSIAEGHGSY-UKTHLTGXSA-N
XLogP3.80
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10826090
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate
CID 11379901
ethyl 4-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzoate
CID 135008103
tert-butyl-[(E)-4-fluoropent-3-enoxy]-dimethylsilane
CID 59072765
5-[tert-butyl(dimethyl)silyl]oxypent-2-enamide
CID 72594662
diethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]-2-oxoethylidene]propanedioate
CID 25214922
ethyl (E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-methylhept-2-enoate
CID 11580515
(Z)-12-[tert-butyl(dimethyl)silyl]oxydodec-8-enenitrile
CID 57331776
ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]acetate
CID 10660119
(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid
CID 87677044
ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 101084181
dimethyl 2-[(Z)-3-acetyl-7-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-yl]propanedioate
CID 24938357

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pent-2-enoate?
The IUPAC name of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pent-2-enoate (CID 42643343) is ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pent-2-enoate.
What is the SMILES notation for ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pent-2-enoate?
The canonical SMILES for ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pent-2-enoate is CCOC(=O)/C(=C/CCO[Si](C)(C)C(C)(C)C)CC#N.
What is the InChIKey of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pent-2-enoate?
The InChIKey is ALYHHSIAEGHGSY-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H27NO3Si/c1-7-18-14(17)13(10-11-16)9-8-12-19-20(5,6)15(2,3)4/h9H,7-8,10,12H2,1-6H3/b13-9+.
What are the key properties of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pent-2-enoate?
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pent-2-enoate has a molecular weight of 297.47 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pent-2-enoate is sourced from PubChem (CID 42643343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).