4-(2-dipropoxysilylphenyl)butan-2-yl 2-methylprop-2-enoate

C20H32O4Si — CID 137327664

IUPAC4-(2-dipropoxysilylphenyl)butan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CCc1ccccc1[SiH](OCCC)OCCC
InChIInChI=1S/C20H32O4Si/c1-6-14-22-25(23-15-7-2)19-11-9-8-10-18(19)13-12-17(5)24-20(21)16(3)4/h8-11,17,25H,3,6-7,12-15H2,1-2,4-5H3
InChIKeyPZRWZURCMZUUKT-UHFFFAOYSA-N
MW364.56 g/mol
LogP3.41
Rot. Bonds12

About 4-(2-dipropoxysilylphenyl)butan-2-yl 2-methylprop-2-enoate

4-(2-dipropoxysilylphenyl)butan-2-yl 2-methylprop-2-enoate (PubChem CID 137327664) has the molecular formula C20H32O4Si and a molecular weight of 364.56 g/mol. Its IUPAC name is 4-(2-dipropoxysilylphenyl)butan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-(2-dipropoxysilylphenyl)butan-2-yl 2-methylprop-2-enoate
PubChem CID137327664
Molecular FormulaC20H32O4Si
Molecular Weight364.56 g/mol
Exact Mass364.21
IUPAC Name4-(2-dipropoxysilylphenyl)butan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CCc1ccccc1[SiH](OCCC)OCCC
InChIInChI=1S/C20H32O4Si/c1-6-14-22-25(23-15-7-2)19-11-9-8-10-18(19)13-12-17(5)24-20(21)16(3)4/h8-11,17,25H,3,6-7,12-15H2,1-2,4-5H3
InChIKeyPZRWZURCMZUUKT-UHFFFAOYSA-N
XLogP3.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-phenylpropan-2-yl 2-methylprop-2-enoate
CID 68742666
3-[2-[ethoxy(methyl)silyl]phenyl]propyl 2-methylprop-2-enoate
CID 137327835
(2-oxo-3-phenyl-1-propoxypropyl) 2-methylprop-2-enoate
CID 67822901
1-(2-propylphenyl)propyl 2-methylprop-2-enoate
CID 174492886
1-phenylmethoxybutyl 2-methylprop-2-enoate
CID 176719356
4-[4-(benzotriazol-2-yl)-3-hydroxyphenyl]butan-2-yl 2-methylprop-2-enoate
CID 151732559
(2-propylphenyl) 2-methylprop-2-enoate
CID 22709190
(4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate
CID 145165282
2-diphenylsilyloxyethyl 2-methylprop-2-enoate
CID 174754381
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 22641153
4-(diethylamino)butan-2-yl 2-methylprop-2-enoate
CID 142730754

Frequently Asked Questions

What is the IUPAC name of 4-(2-dipropoxysilylphenyl)butan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 4-(2-dipropoxysilylphenyl)butan-2-yl 2-methylprop-2-enoate (CID 137327664) is 4-(2-dipropoxysilylphenyl)butan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 4-(2-dipropoxysilylphenyl)butan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 4-(2-dipropoxysilylphenyl)butan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)CCc1ccccc1[SiH](OCCC)OCCC.
What is the InChIKey of 4-(2-dipropoxysilylphenyl)butan-2-yl 2-methylprop-2-enoate?
The InChIKey is PZRWZURCMZUUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4Si/c1-6-14-22-25(23-15-7-2)19-11-9-8-10-18(19)13-12-17(5)24-20(21)16(3)4/h8-11,17,25H,3,6-7,12-15H2,1-2,4-5H3.
What are the key properties of 4-(2-dipropoxysilylphenyl)butan-2-yl 2-methylprop-2-enoate?
4-(2-dipropoxysilylphenyl)butan-2-yl 2-methylprop-2-enoate has a molecular weight of 364.56 g/mol, XLogP of 3.41, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-dipropoxysilylphenyl)butan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 137327664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).