4-bis(phenylmethoxy)silylbutyl 2-methylprop-2-enoate

C22H28O4Si — CID 123419243

IUPAC4-bis(phenylmethoxy)silylbutyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC[SiH](OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C22H28O4Si/c1-19(2)22(23)24-15-9-10-16-27(25-17-20-11-5-3-6-12-20)26-18-21-13-7-4-8-14-21/h3-8,11-14,27H,1,9-10,15-18H2,2H3
InChIKeyZXAYUZDXJTUZEU-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.54
Rot. Bonds12

About 4-bis(phenylmethoxy)silylbutyl 2-methylprop-2-enoate

4-bis(phenylmethoxy)silylbutyl 2-methylprop-2-enoate (PubChem CID 123419243) has the molecular formula C22H28O4Si and a molecular weight of 384.55 g/mol. Its IUPAC name is 4-bis(phenylmethoxy)silylbutyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-bis(phenylmethoxy)silylbutyl 2-methylprop-2-enoate
PubChem CID123419243
Molecular FormulaC22H28O4Si
Molecular Weight384.55 g/mol
Exact Mass384.18
IUPAC Name4-bis(phenylmethoxy)silylbutyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC[SiH](OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C22H28O4Si/c1-19(2)22(23)24-15-9-10-16-27(25-17-20-11-5-3-6-12-20)26-18-21-13-7-4-8-14-21/h3-8,11-14,27H,1,9-10,15-18H2,2H3
InChIKeyZXAYUZDXJTUZEU-UHFFFAOYSA-N
XLogP4.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-phenylbutyl 2-methylprop-2-enoate
CID 22507477
CID 175978198
CID 175978198
benzyl 2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate
CID 67462298
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
4-[4-(4-phenoxybutoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139664490
2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene
CID 70268341
2-diphenylsilyloxyethyl 2-methylprop-2-enoate
CID 174754381
benzyl 2-methylprop-2-enoate;butane
CID 174907722
benzyl 2-methyl(113C)prop-2-enoate;benzyl 2-oxo(113C)propanoate
CID 161249019
benzyl-dimethyl-[8-(2-methylprop-2-enoyloxy)octyl]azanium
CID 139823019
4-[benzyl(dimethoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977884
benzyl 2-methylprop-2-enoate;furan-2,5-dione;tetradecan-1-ol;tetradecyl 2-methylprop-2-enoate
CID 175471181

Frequently Asked Questions

What is the IUPAC name of 4-bis(phenylmethoxy)silylbutyl 2-methylprop-2-enoate?
The IUPAC name of 4-bis(phenylmethoxy)silylbutyl 2-methylprop-2-enoate (CID 123419243) is 4-bis(phenylmethoxy)silylbutyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-bis(phenylmethoxy)silylbutyl 2-methylprop-2-enoate?
The canonical SMILES for 4-bis(phenylmethoxy)silylbutyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC[SiH](OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 4-bis(phenylmethoxy)silylbutyl 2-methylprop-2-enoate?
The InChIKey is ZXAYUZDXJTUZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O4Si/c1-19(2)22(23)24-15-9-10-16-27(25-17-20-11-5-3-6-12-20)26-18-21-13-7-4-8-14-21/h3-8,11-14,27H,1,9-10,15-18H2,2H3.
What are the key properties of 4-bis(phenylmethoxy)silylbutyl 2-methylprop-2-enoate?
4-bis(phenylmethoxy)silylbutyl 2-methylprop-2-enoate has a molecular weight of 384.55 g/mol, XLogP of 4.54, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bis(phenylmethoxy)silylbutyl 2-methylprop-2-enoate is sourced from PubChem (CID 123419243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).