methyl 4-tert-butylsilyloxy-2-methoxypenta-2,4-dienoate

C11H20O4Si — CID 123809943

IUPACmethyl 4-tert-butylsilyloxy-2-methoxypenta-2,4-dienoate
SMILESC=C(C=C(OC)C(=O)OC)O[SiH2]C(C)(C)C
InChIInChI=1S/C11H20O4Si/c1-8(15-16-11(2,3)4)7-9(13-5)10(12)14-6/h7H,1,16H2,2-6H3
InChIKeySXZCZYRIHWFBHT-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.52
Rot. Bonds5

About methyl 4-tert-butylsilyloxy-2-methoxypenta-2,4-dienoate

methyl 4-tert-butylsilyloxy-2-methoxypenta-2,4-dienoate (PubChem CID 123809943) has the molecular formula C11H20O4Si and a molecular weight of 244.36 g/mol. Its IUPAC name is methyl 4-tert-butylsilyloxy-2-methoxypenta-2,4-dienoate.

Molecular Properties

Compound Namemethyl 4-tert-butylsilyloxy-2-methoxypenta-2,4-dienoate
PubChem CID123809943
Molecular FormulaC11H20O4Si
Molecular Weight244.36 g/mol
Exact Mass244.11
IUPAC Namemethyl 4-tert-butylsilyloxy-2-methoxypenta-2,4-dienoate
SMILESC=C(C=C(OC)C(=O)OC)O[SiH2]C(C)(C)C
InChIInChI=1S/C11H20O4Si/c1-8(15-16-11(2,3)4)7-9(13-5)10(12)14-6/h7H,1,16H2,2-6H3
InChIKeySXZCZYRIHWFBHT-UHFFFAOYSA-N
XLogP1.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.52
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

3-[Tert-butyl(dimethyl)silyl]oxypyran-2-one
CID 85641539
(5Z)-3,4-dimethoxy-5-(2-trimethylsilyloxyprop-2-enylidene)furan-2-one
CID 11346269
(5E)-3-methoxy-5-(2-trimethylsilyloxyprop-2-enylidene)furan-2-one
CID 135037188
methyl (2Z)-2,4-dimethoxypenta-2,4-dienoate
CID 13813249
Methyl 2,4-dimethoxypenta-2,4-dienoate
CID 53689546
CID 58775858
CID 58775858
methyl (2Z)-2-methoxy-4-trimethylsilyloxypenta-2,4-dienoate
CID 59041510
methyl (2Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypenta-2,4-dienoate
CID 59884443
Methyl 2-methoxy-4-trimethylsilyloxypenta-2,4-dienoate
CID 72498158
CID 145802557
CID 145802557
methyl (2Z)-4-tert-butylsilyloxy-2-methoxypenta-2,4-dienoate
CID 160968761
Methyl 2-(2-methylpropylsilyloxy)but-2-enoate
CID 173287198

Frequently Asked Questions

What is the IUPAC name of methyl 4-tert-butylsilyloxy-2-methoxypenta-2,4-dienoate?
The IUPAC name of methyl 4-tert-butylsilyloxy-2-methoxypenta-2,4-dienoate (CID 123809943) is methyl 4-tert-butylsilyloxy-2-methoxypenta-2,4-dienoate.
What is the SMILES notation for methyl 4-tert-butylsilyloxy-2-methoxypenta-2,4-dienoate?
The canonical SMILES for methyl 4-tert-butylsilyloxy-2-methoxypenta-2,4-dienoate is C=C(C=C(OC)C(=O)OC)O[SiH2]C(C)(C)C.
What is the InChIKey of methyl 4-tert-butylsilyloxy-2-methoxypenta-2,4-dienoate?
The InChIKey is SXZCZYRIHWFBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4Si/c1-8(15-16-11(2,3)4)7-9(13-5)10(12)14-6/h7H,1,16H2,2-6H3.
What are the key properties of methyl 4-tert-butylsilyloxy-2-methoxypenta-2,4-dienoate?
methyl 4-tert-butylsilyloxy-2-methoxypenta-2,4-dienoate has a molecular weight of 244.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-tert-butylsilyloxy-2-methoxypenta-2,4-dienoate is sourced from PubChem (CID 123809943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).