3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate

C21H34O4Si — CID 19012652

IUPAC3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OCCCC)(OCCCC)c1ccccc1
InChIInChI=1S/C21H34O4Si/c1-5-7-16-24-26(25-17-8-6-2,20-13-10-9-11-14-20)18-12-15-23-21(22)19(3)4/h9-11,13-14H,3,5-8,12,15-18H2,1-2,4H3
InChIKeyZQQPAHKRIGASOL-UHFFFAOYSA-N
MW378.59 g/mol
LogP4.48
Rot. Bonds14

About 3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate

3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate (PubChem CID 19012652) has the molecular formula C21H34O4Si and a molecular weight of 378.59 g/mol. Its IUPAC name is 3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
PubChem CID19012652
Molecular FormulaC21H34O4Si
Molecular Weight378.59 g/mol
Exact Mass378.22
IUPAC Name3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OCCCC)(OCCCC)c1ccccc1
InChIInChI=1S/C21H34O4Si/c1-5-7-16-24-26(25-17-8-6-2,20-13-10-9-11-14-20)18-12-15-23-21(22)19(3)4/h9-11,13-14H,3,5-8,12,15-18H2,1-2,4H3
InChIKeyZQQPAHKRIGASOL-UHFFFAOYSA-N
XLogP4.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.59
LogP ≤ 54.48
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

3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012650
3-[dibutoxy(phenyl)silyl]propyl but-2-enoate
CID 67842940
3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate
CID 54512859
benzoyl benzenecarboperoxoate;butyl 2-methylprop-2-enoate
CID 21486215
benzene;pentyl 2-methylprop-2-enoate
CID 174465726
3-[bis[[dimethyl(phenyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate
CID 66674902
5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
CID 172860642
butyl 2-methylprop-2-enoate;carbamic acid
CID 174813698
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
butyl 2-methylprop-2-enoate;ethene
CID 158758814
butyl 2-methylprop-2-enoate;methane
CID 159646333
3-[diethoxy(phenoxy)silyl]propyl 2-methylprop-2-enoate
CID 139977935

Frequently Asked Questions

What is the IUPAC name of 3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate (CID 19012652) is 3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](OCCCC)(OCCCC)c1ccccc1.
What is the InChIKey of 3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate?
The InChIKey is ZQQPAHKRIGASOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O4Si/c1-5-7-16-24-26(25-17-8-6-2,20-13-10-9-11-14-20)18-12-15-23-21(22)19(3)4/h9-11,13-14H,3,5-8,12,15-18H2,1-2,4H3.
What are the key properties of 3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate?
3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate has a molecular weight of 378.59 g/mol, XLogP of 4.48, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 19012652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).