benzyl 4-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dienoate

C18H26O3Si — CID 134877348

IUPACbenzyl 4-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dienoate
SMILESCC(=C=CC(=O)OCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H26O3Si/c1-15(21-22(5,6)18(2,3)4)12-13-17(19)20-14-16-10-8-7-9-11-16/h7-11,13H,14H2,1-6H3
InChIKeyNHTCZHFZFCWYJM-UHFFFAOYSA-N
MW318.49 g/mol
LogP4.81
Rot. Bonds5

About benzyl 4-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dienoate

benzyl 4-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dienoate (PubChem CID 134877348) has the molecular formula C18H26O3Si and a molecular weight of 318.49 g/mol. Its IUPAC name is benzyl 4-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dienoate.

Molecular Properties

Compound Namebenzyl 4-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dienoate
PubChem CID134877348
Molecular FormulaC18H26O3Si
Molecular Weight318.49 g/mol
Exact Mass318.17
IUPAC Namebenzyl 4-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dienoate
SMILESCC(=C=CC(=O)OCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H26O3Si/c1-15(21-22(5,6)18(2,3)4)12-13-17(19)20-14-16-10-8-7-9-11-16/h7-11,13H,14H2,1-6H3
InChIKeyNHTCZHFZFCWYJM-UHFFFAOYSA-N
XLogP4.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

benzyl 4-methoxy(3,4-13C2)penta-2,3-dienoate
CID 11790709
benzyl (E)-2-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 132540362
dibenzyl 2-[(3S)-2-[tert-butyl(dimethyl)silyl]oxypenta-1,4-dien-3-yl]propanedioate
CID 134813788
benzyl (E)-3-chlorobut-2-enoate
CID 122382753
[tert-butyl(dimethyl)silyl] 2-phenylacetate
CID 528591
benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate
CID 176759089
benzyl 3-methylpent-2-enoate
CID 123956810
benzyl (E)-4,4-dimethyl-5-oxo-5-phenylpent-2-enoate
CID 102073320
benzyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-3-oxohexanoate
CID 59211797
(E,2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxyhex-4-ene-2,3-diol
CID 11348751
1-O-benzyl 4-O-tert-butyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
CID 10786824
benzyl acetate
CID 8785

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dienoate?
The IUPAC name of benzyl 4-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dienoate (CID 134877348) is benzyl 4-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dienoate.
What is the SMILES notation for benzyl 4-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dienoate?
The canonical SMILES for benzyl 4-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dienoate is CC(=C=CC(=O)OCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of benzyl 4-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dienoate?
The InChIKey is NHTCZHFZFCWYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3Si/c1-15(21-22(5,6)18(2,3)4)12-13-17(19)20-14-16-10-8-7-9-11-16/h7-11,13H,14H2,1-6H3.
What are the key properties of benzyl 4-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dienoate?
benzyl 4-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dienoate has a molecular weight of 318.49 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[tert-butyl(dimethyl)silyl]oxypenta-2,3-dienoate is sourced from PubChem (CID 134877348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).