[phenyl-di(propan-2-yl)silyl] but-2-enoate

C16H24O2Si — CID 175274232

IUPAC[phenyl-di(propan-2-yl)silyl] but-2-enoate
SMILESCC=CC(=O)O[Si](c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C16H24O2Si/c1-6-10-16(17)18-19(13(2)3,14(4)5)15-11-8-7-9-12-15/h6-14H,1-5H3
InChIKeyJPFHDBIQGQUSAE-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.78
Rot. Bonds5

About [phenyl-di(propan-2-yl)silyl] but-2-enoate

[phenyl-di(propan-2-yl)silyl] but-2-enoate (PubChem CID 175274232) has the molecular formula C16H24O2Si and a molecular weight of 276.45 g/mol. Its IUPAC name is [phenyl-di(propan-2-yl)silyl] but-2-enoate.

Molecular Properties

Compound Name[phenyl-di(propan-2-yl)silyl] but-2-enoate
PubChem CID175274232
Molecular FormulaC16H24O2Si
Molecular Weight276.45 g/mol
Exact Mass276.15
IUPAC Name[phenyl-di(propan-2-yl)silyl] but-2-enoate
SMILESCC=CC(=O)O[Si](c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C16H24O2Si/c1-6-10-16(17)18-19(13(2)3,14(4)5)15-11-8-7-9-12-15/h6-14H,1-5H3
InChIKeyJPFHDBIQGQUSAE-UHFFFAOYSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tri(propan-2-yl)silyl (E)-3-phenylprop-2-enoate
CID 11174213
3-[methyl(diphenyl)silyl]propyl but-2-enoate
CID 69118200
[(E)-but-2-enoyl] benzoate
CID 87397529
[2-[acetyloxy-(aminomethyl)-phenylsilyl]oxy-2-oxoethyl] but-2-enoate
CID 152719946
benzyl (E)-but-2-enoate
CID 5356259
(Z)-4-[tert-butyl(diphenyl)silyl]oxy-4-oxobut-2-enoic acid
CID 162310940
1-phenylpropyl (E)-but-2-enoate
CID 22706710
1-phenylethenyl but-2-enoate
CID 68623165
[4-[dimethyl(phenyl)silyl]oxy-2-iodo-6-methoxyphenyl] (Z)-but-2-enoate
CID 177477597
[1-oxo-1-(2-phenylmethoxyethoxy)propan-2-yl] (E)-but-2-enoate
CID 139920337
2-phenylethyl (E)-but-2-enoate
CID 5354304
but-2-enoyloxy(phenyl)phosphinic acid
CID 151893149

Frequently Asked Questions

What is the IUPAC name of [phenyl-di(propan-2-yl)silyl] but-2-enoate?
The IUPAC name of [phenyl-di(propan-2-yl)silyl] but-2-enoate (CID 175274232) is [phenyl-di(propan-2-yl)silyl] but-2-enoate.
What is the SMILES notation for [phenyl-di(propan-2-yl)silyl] but-2-enoate?
The canonical SMILES for [phenyl-di(propan-2-yl)silyl] but-2-enoate is CC=CC(=O)O[Si](c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of [phenyl-di(propan-2-yl)silyl] but-2-enoate?
The InChIKey is JPFHDBIQGQUSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2Si/c1-6-10-16(17)18-19(13(2)3,14(4)5)15-11-8-7-9-12-15/h6-14H,1-5H3.
What are the key properties of [phenyl-di(propan-2-yl)silyl] but-2-enoate?
[phenyl-di(propan-2-yl)silyl] but-2-enoate has a molecular weight of 276.45 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl-di(propan-2-yl)silyl] but-2-enoate is sourced from PubChem (CID 175274232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).