[2-[methyl(diphenoxy)silyl]oxyphenyl] 2-methylprop-2-enoate

C23H22O5Si — CID 66628172

IUPAC[2-[methyl(diphenoxy)silyl]oxyphenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccccc1O[Si](C)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C23H22O5Si/c1-18(2)23(24)25-21-16-10-11-17-22(21)28-29(3,26-19-12-6-4-7-13-19)27-20-14-8-5-9-15-20/h4-17H,1H2,2-3H3
InChIKeyGIDOSZISZWTSJB-UHFFFAOYSA-N
MW406.51 g/mol
LogP5.27
Rot. Bonds8

About [2-[methyl(diphenoxy)silyl]oxyphenyl] 2-methylprop-2-enoate

[2-[methyl(diphenoxy)silyl]oxyphenyl] 2-methylprop-2-enoate (PubChem CID 66628172) has the molecular formula C23H22O5Si and a molecular weight of 406.51 g/mol. Its IUPAC name is [2-[methyl(diphenoxy)silyl]oxyphenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-[methyl(diphenoxy)silyl]oxyphenyl] 2-methylprop-2-enoate
PubChem CID66628172
Molecular FormulaC23H22O5Si
Molecular Weight406.51 g/mol
Exact Mass406.12
IUPAC Name[2-[methyl(diphenoxy)silyl]oxyphenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccccc1O[Si](C)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C23H22O5Si/c1-18(2)23(24)25-21-16-10-11-17-22(21)28-29(3,26-19-12-6-4-7-13-19)27-20-14-8-5-9-15-20/h4-17H,1H2,2-3H3
InChIKeyGIDOSZISZWTSJB-UHFFFAOYSA-N
XLogP5.27
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
(2-acetylphenyl) 2-methylprop-2-enoate
CID 19877902
[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 162511991
phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
CID 20561455
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
phenyl 2-methylprop-2-enoate;styrene
CID 22227486
(2-carbonochloridoylphenyl) 2-methylprop-2-enoate
CID 100943837
(2,4-diphenoxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 163406763
2-(2-methylprop-2-enoyloxy)benzoic acid;3-(2-methylprop-2-enoyloxy)benzoic acid
CID 118071852
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
2-[dimethoxy(phenoxy)silyl]ethyl 2-methylprop-2-enoate
CID 139977872
[2-(2-methylprop-2-enoyloxy)-3-phenyldiazenylphenyl] 2-methylprop-2-enoate
CID 172876417

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(diphenoxy)silyl]oxyphenyl] 2-methylprop-2-enoate?
The IUPAC name of [2-[methyl(diphenoxy)silyl]oxyphenyl] 2-methylprop-2-enoate (CID 66628172) is [2-[methyl(diphenoxy)silyl]oxyphenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-[methyl(diphenoxy)silyl]oxyphenyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-[methyl(diphenoxy)silyl]oxyphenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccccc1O[Si](C)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of [2-[methyl(diphenoxy)silyl]oxyphenyl] 2-methylprop-2-enoate?
The InChIKey is GIDOSZISZWTSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O5Si/c1-18(2)23(24)25-21-16-10-11-17-22(21)28-29(3,26-19-12-6-4-7-13-19)27-20-14-8-5-9-15-20/h4-17H,1H2,2-3H3.
What are the key properties of [2-[methyl(diphenoxy)silyl]oxyphenyl] 2-methylprop-2-enoate?
[2-[methyl(diphenoxy)silyl]oxyphenyl] 2-methylprop-2-enoate has a molecular weight of 406.51 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(diphenoxy)silyl]oxyphenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 66628172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).