ethyl (E)-4-[[(1E)-buta-1,3-dienoxy]-ditert-butylsilyl]oxybut-2-enoate

C18H32O4Si — CID 15748839

IUPACethyl (E)-4-[[(1E)-buta-1,3-dienoxy]-ditert-butylsilyl]oxybut-2-enoate
SMILESC=C/C=C/O[Si](OC/C=C/C(=O)OCC)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H32O4Si/c1-9-11-14-21-23(17(3,4)5,18(6,7)8)22-15-12-13-16(19)20-10-2/h9,11-14H,1,10,15H2,2-8H3/b13-12+,14-11+
InChIKeyUCDWQKQJGJFUKJ-UIGAKZAYSA-N
MW340.54 g/mol
LogP4.88
Rot. Bonds8

About ethyl (E)-4-[[(1E)-buta-1,3-dienoxy]-ditert-butylsilyl]oxybut-2-enoate

ethyl (E)-4-[[(1E)-buta-1,3-dienoxy]-ditert-butylsilyl]oxybut-2-enoate (PubChem CID 15748839) has the molecular formula C18H32O4Si and a molecular weight of 340.54 g/mol. Its IUPAC name is ethyl (E)-4-[[(1E)-buta-1,3-dienoxy]-ditert-butylsilyl]oxybut-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-[[(1E)-buta-1,3-dienoxy]-ditert-butylsilyl]oxybut-2-enoate
PubChem CID15748839
Molecular FormulaC18H32O4Si
Molecular Weight340.54 g/mol
Exact Mass340.21
IUPAC Nameethyl (E)-4-[[(1E)-buta-1,3-dienoxy]-ditert-butylsilyl]oxybut-2-enoate
SMILESC=C/C=C/O[Si](OC/C=C/C(=O)OCC)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H32O4Si/c1-9-11-14-21-23(17(3,4)5,18(6,7)8)22-15-12-13-16(19)20-10-2/h9,11-14H,1,10,15H2,2-8H3/b13-12+,14-11+
InChIKeyUCDWQKQJGJFUKJ-UIGAKZAYSA-N
XLogP4.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2E,4E)-
CID 58361202
2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester
CID 76734167
(E)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-butenoic Acid Ethyl Ester
CID 10490523
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate
CID 20767020
3-[[3-But-2-enoyloxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propyl but-2-enoate
CID 53652775
3-Tris(trimethylsilyloxy)silylpropyl but-2-enoate
CID 53741342
3-Methylacryloxypropyltrimethoxysilane
CID 54181231
Methylacryloxypropyl triethoxysilane
CID 54397623
gamma-Methylacryloxy propyl triisopropoxy-silane
CID 57153051
ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enoate
CID 23252777
ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enoate
CID 169081110
ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate
CID 12772798

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-[[(1E)-buta-1,3-dienoxy]-ditert-butylsilyl]oxybut-2-enoate?
The IUPAC name of ethyl (E)-4-[[(1E)-buta-1,3-dienoxy]-ditert-butylsilyl]oxybut-2-enoate (CID 15748839) is ethyl (E)-4-[[(1E)-buta-1,3-dienoxy]-ditert-butylsilyl]oxybut-2-enoate.
What is the SMILES notation for ethyl (E)-4-[[(1E)-buta-1,3-dienoxy]-ditert-butylsilyl]oxybut-2-enoate?
The canonical SMILES for ethyl (E)-4-[[(1E)-buta-1,3-dienoxy]-ditert-butylsilyl]oxybut-2-enoate is C=C/C=C/O[Si](OC/C=C/C(=O)OCC)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ethyl (E)-4-[[(1E)-buta-1,3-dienoxy]-ditert-butylsilyl]oxybut-2-enoate?
The InChIKey is UCDWQKQJGJFUKJ-UIGAKZAYSA-N. The full InChI is InChI=1S/C18H32O4Si/c1-9-11-14-21-23(17(3,4)5,18(6,7)8)22-15-12-13-16(19)20-10-2/h9,11-14H,1,10,15H2,2-8H3/b13-12+,14-11+.
What are the key properties of ethyl (E)-4-[[(1E)-buta-1,3-dienoxy]-ditert-butylsilyl]oxybut-2-enoate?
ethyl (E)-4-[[(1E)-buta-1,3-dienoxy]-ditert-butylsilyl]oxybut-2-enoate has a molecular weight of 340.54 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-[[(1E)-buta-1,3-dienoxy]-ditert-butylsilyl]oxybut-2-enoate is sourced from PubChem (CID 15748839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).