2-methylprop-2-enyl (E)-3-(4-methoxy-3-trimethylsilyloxyphenyl)prop-2-enoate

C17H24O4Si — CID 5352628

IUPAC2-methylprop-2-enyl (E)-3-(4-methoxy-3-trimethylsilyloxyphenyl)prop-2-enoate
SMILESC=C(C)COC(=O)/C=C/c1ccc(OC)c(O[Si](C)(C)C)c1
InChIInChI=1S/C17H24O4Si/c1-13(2)12-20-17(18)10-8-14-7-9-15(19-3)16(11-14)21-22(4,5)6/h7-11H,1,12H2,2-6H3/b10-8+
InChIKeyGRUNAUVVSMPNLW-CSKARUKUSA-N
MW320.46 g/mol
LogP4.04
Rot. Bonds7

About 2-methylprop-2-enyl (E)-3-(4-methoxy-3-trimethylsilyloxyphenyl)prop-2-enoate

2-methylprop-2-enyl (E)-3-(4-methoxy-3-trimethylsilyloxyphenyl)prop-2-enoate (PubChem CID 5352628) has the molecular formula C17H24O4Si and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-methylprop-2-enyl (E)-3-(4-methoxy-3-trimethylsilyloxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name2-methylprop-2-enyl (E)-3-(4-methoxy-3-trimethylsilyloxyphenyl)prop-2-enoate
PubChem CID5352628
Molecular FormulaC17H24O4Si
Molecular Weight320.46 g/mol
Exact Mass320.14
IUPAC Name2-methylprop-2-enyl (E)-3-(4-methoxy-3-trimethylsilyloxyphenyl)prop-2-enoate
SMILESC=C(C)COC(=O)/C=C/c1ccc(OC)c(O[Si](C)(C)C)c1
InChIInChI=1S/C17H24O4Si/c1-13(2)12-20-17(18)10-8-14-7-9-15(19-3)16(11-14)21-22(4,5)6/h7-11H,1,12H2,2-6H3/b10-8+
InChIKeyGRUNAUVVSMPNLW-CSKARUKUSA-N
XLogP4.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-2-oxoethyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 6163287
3-(3-methoxy-4-trimethylsilyloxyphenyl)prop-2-enoic acid
CID 71444927
7-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxyheptyl 2-methylprop-2-enoate
CID 69118218
[2-(tert-butylamino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 4253558
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 16579405
nonyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 164675970
hexyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 142627715
dodecyl 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 71347266
2-[2-(methylamino)ethoxy]ethyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 155475590
(2-oxo-2-piperidin-1-ylethyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 4692193
[2-(azepan-1-yl)-2-oxoethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 2346238
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 55310214

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enyl (E)-3-(4-methoxy-3-trimethylsilyloxyphenyl)prop-2-enoate?
The IUPAC name of 2-methylprop-2-enyl (E)-3-(4-methoxy-3-trimethylsilyloxyphenyl)prop-2-enoate (CID 5352628) is 2-methylprop-2-enyl (E)-3-(4-methoxy-3-trimethylsilyloxyphenyl)prop-2-enoate.
What is the SMILES notation for 2-methylprop-2-enyl (E)-3-(4-methoxy-3-trimethylsilyloxyphenyl)prop-2-enoate?
The canonical SMILES for 2-methylprop-2-enyl (E)-3-(4-methoxy-3-trimethylsilyloxyphenyl)prop-2-enoate is C=C(C)COC(=O)/C=C/c1ccc(OC)c(O[Si](C)(C)C)c1.
What is the InChIKey of 2-methylprop-2-enyl (E)-3-(4-methoxy-3-trimethylsilyloxyphenyl)prop-2-enoate?
The InChIKey is GRUNAUVVSMPNLW-CSKARUKUSA-N. The full InChI is InChI=1S/C17H24O4Si/c1-13(2)12-20-17(18)10-8-14-7-9-15(19-3)16(11-14)21-22(4,5)6/h7-11H,1,12H2,2-6H3/b10-8+.
What are the key properties of 2-methylprop-2-enyl (E)-3-(4-methoxy-3-trimethylsilyloxyphenyl)prop-2-enoate?
2-methylprop-2-enyl (E)-3-(4-methoxy-3-trimethylsilyloxyphenyl)prop-2-enoate has a molecular weight of 320.46 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enyl (E)-3-(4-methoxy-3-trimethylsilyloxyphenyl)prop-2-enoate is sourced from PubChem (CID 5352628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).