methyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybut-2-enoate

C14H26O4Si — CID 12027327

IUPACmethyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybut-2-enoate
SMILESC=CCO/C(=C/C(=O)OC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O4Si/c1-8-9-17-12(10-13(15)16-5)11-18-19(6,7)14(2,3)4/h8,10H,1,9,11H2,2-7H3/b12-10+
InChIKeyUZEBMKKQPMYQBO-ZRDIBKRKSA-N
MW286.44 g/mol
LogP3.27
Rot. Bonds7

About methyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybut-2-enoate

methyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybut-2-enoate (PubChem CID 12027327) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is methyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybut-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybut-2-enoate
PubChem CID12027327
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Namemethyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybut-2-enoate
SMILESC=CCO/C(=C/C(=O)OC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O4Si/c1-8-9-17-12(10-13(15)16-5)11-18-19(6,7)14(2,3)4/h8,10H,1,9,11H2,2-7H3/b12-10+
InChIKeyUZEBMKKQPMYQBO-ZRDIBKRKSA-N
XLogP3.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.27
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybut-2-enoate?
The IUPAC name of methyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybut-2-enoate (CID 12027327) is methyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybut-2-enoate.
What is the SMILES notation for methyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybut-2-enoate?
The canonical SMILES for methyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybut-2-enoate is C=CCO/C(=C/C(=O)OC)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybut-2-enoate?
The InChIKey is UZEBMKKQPMYQBO-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-8-9-17-12(10-13(15)16-5)11-18-19(6,7)14(2,3)4/h8,10H,1,9,11H2,2-7H3/b12-10+.
What are the key properties of methyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybut-2-enoate?
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybut-2-enoate has a molecular weight of 286.44 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybut-2-enoate is sourced from PubChem (CID 12027327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).