4-[dimethoxy(phenoxy)silyl]butyl 2-methylprop-2-enoate

C16H24O5Si — CID 139977927

IUPAC4-[dimethoxy(phenoxy)silyl]butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC[Si](OC)(OC)Oc1ccccc1
InChIInChI=1S/C16H24O5Si/c1-14(2)16(17)20-12-8-9-13-22(18-3,19-4)21-15-10-6-5-7-11-15/h5-7,10-11H,1,8-9,12-13H2,2-4H3
InChIKeyGCOBFHOYFGVPEO-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.20
Rot. Bonds10

About 4-[dimethoxy(phenoxy)silyl]butyl 2-methylprop-2-enoate

4-[dimethoxy(phenoxy)silyl]butyl 2-methylprop-2-enoate (PubChem CID 139977927) has the molecular formula C16H24O5Si and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-[dimethoxy(phenoxy)silyl]butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-[dimethoxy(phenoxy)silyl]butyl 2-methylprop-2-enoate
PubChem CID139977927
Molecular FormulaC16H24O5Si
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name4-[dimethoxy(phenoxy)silyl]butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC[Si](OC)(OC)Oc1ccccc1
InChIInChI=1S/C16H24O5Si/c1-14(2)16(17)20-12-8-9-13-22(18-3,19-4)21-15-10-6-5-7-11-15/h5-7,10-11H,1,8-9,12-13H2,2-4H3
InChIKeyGCOBFHOYFGVPEO-UHFFFAOYSA-N
XLogP3.20
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[dimethoxy(phenoxy)silyl]ethyl 2-methylprop-2-enoate
CID 139977872
3-[diethoxy(phenoxy)silyl]propyl 2-methylprop-2-enoate
CID 139977935
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
1,2-bis(ethenyl)benzene;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 175495096
4-[benzyl(dimethoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977884
3-[bis[[dimethyl(phenyl)silyl]oxy]-methoxysilyl]propyl 2-methylprop-2-enoate
CID 66675453
azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
4-[4-(4-phenoxybutoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139664490
12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate
CID 23199559
(2-ethenylphenyl)methanol;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174809447
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477
6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate
CID 90308739

Frequently Asked Questions

What is the IUPAC name of 4-[dimethoxy(phenoxy)silyl]butyl 2-methylprop-2-enoate?
The IUPAC name of 4-[dimethoxy(phenoxy)silyl]butyl 2-methylprop-2-enoate (CID 139977927) is 4-[dimethoxy(phenoxy)silyl]butyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-[dimethoxy(phenoxy)silyl]butyl 2-methylprop-2-enoate?
The canonical SMILES for 4-[dimethoxy(phenoxy)silyl]butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC[Si](OC)(OC)Oc1ccccc1.
What is the InChIKey of 4-[dimethoxy(phenoxy)silyl]butyl 2-methylprop-2-enoate?
The InChIKey is GCOBFHOYFGVPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O5Si/c1-14(2)16(17)20-12-8-9-13-22(18-3,19-4)21-15-10-6-5-7-11-15/h5-7,10-11H,1,8-9,12-13H2,2-4H3.
What are the key properties of 4-[dimethoxy(phenoxy)silyl]butyl 2-methylprop-2-enoate?
4-[dimethoxy(phenoxy)silyl]butyl 2-methylprop-2-enoate has a molecular weight of 324.45 g/mol, XLogP of 3.20, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethoxy(phenoxy)silyl]butyl 2-methylprop-2-enoate is sourced from PubChem (CID 139977927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).