methyl (2Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypenta-2,4-dienoate

C13H24O4Si — CID 59884443

IUPACmethyl (2Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypenta-2,4-dienoate
SMILESC=C(/C=C(\OC)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O4Si/c1-10(9-11(15-5)12(14)16-6)17-18(7,8)13(2,3)4/h9H,1H2,2-8H3/b11-9-
InChIKeyPOTDTAHZKHLFAQ-LUAWRHEFSA-N
MW272.42 g/mol
LogP3.23
Rot. Bonds5

About methyl (2Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypenta-2,4-dienoate

methyl (2Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypenta-2,4-dienoate (PubChem CID 59884443) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is methyl (2Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypenta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypenta-2,4-dienoate
PubChem CID59884443
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Namemethyl (2Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypenta-2,4-dienoate
SMILESC=C(/C=C(\OC)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O4Si/c1-10(9-11(15-5)12(14)16-6)17-18(7,8)13(2,3)4/h9H,1H2,2-8H3/b11-9-
InChIKeyPOTDTAHZKHLFAQ-LUAWRHEFSA-N
XLogP3.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.23
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'}

Analyze methyl (2Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypenta-2,4-dienoate with MolForge

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Related Compounds

3-[Tert-butyl(dimethyl)silyl]oxypyran-2-one
CID 85641539
(5Z)-3,4-dimethoxy-5-(2-trimethylsilyloxyprop-2-enylidene)furan-2-one
CID 11346269
methyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate
CID 71567020
(5E)-3-methoxy-5-(2-trimethylsilyloxyprop-2-enylidene)furan-2-one
CID 135037188
ethyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate
CID 135041549
CID 58775858
CID 58775858
methyl (2Z)-2-methoxy-4-trimethylsilyloxypenta-2,4-dienoate
CID 59041510
Methyl 2-methoxy-4-trimethylsilyloxypenta-2,4-dienoate
CID 72498158
methyl (E)-2-[tert-butyl(dimethyl)silyl]oxy-4-formyloxybut-2-enoate
CID 89891029
Methyl 4-tert-butylsilyloxy-2-methoxypenta-2,4-dienoate
CID 123809943
CID 145802557
CID 145802557
3-[Butyl(dimethyl)silyl]oxypyran-2-one
CID 152550767

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypenta-2,4-dienoate?
The IUPAC name of methyl (2Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypenta-2,4-dienoate (CID 59884443) is methyl (2Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypenta-2,4-dienoate.
What is the SMILES notation for methyl (2Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypenta-2,4-dienoate?
The canonical SMILES for methyl (2Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypenta-2,4-dienoate is C=C(/C=C(\OC)C(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypenta-2,4-dienoate?
The InChIKey is POTDTAHZKHLFAQ-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-10(9-11(15-5)12(14)16-6)17-18(7,8)13(2,3)4/h9H,1H2,2-8H3/b11-9-.
What are the key properties of methyl (2Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypenta-2,4-dienoate?
methyl (2Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypenta-2,4-dienoate has a molecular weight of 272.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypenta-2,4-dienoate is sourced from PubChem (CID 59884443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).