tributylsilyloxymethyl 2-methylprop-2-enoate

C17H34O3Si — CID 171058418

IUPACtributylsilyloxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCO[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C17H34O3Si/c1-6-9-12-21(13-10-7-2,14-11-8-3)20-15-19-17(18)16(4)5/h4,6-15H2,1-3,5H3
InChIKeyKFCYZYRZQVRYBV-UHFFFAOYSA-N
MW314.54 g/mol
LogP5.43
Rot. Bonds13

About tributylsilyloxymethyl 2-methylprop-2-enoate

tributylsilyloxymethyl 2-methylprop-2-enoate (PubChem CID 171058418) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is tributylsilyloxymethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nametributylsilyloxymethyl 2-methylprop-2-enoate
PubChem CID171058418
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Nametributylsilyloxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCO[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C17H34O3Si/c1-6-9-12-21(13-10-7-2,14-11-8-3)20-15-19-17(18)16(4)5/h4,6-15H2,1-3,5H3
InChIKeyKFCYZYRZQVRYBV-UHFFFAOYSA-N
XLogP5.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(methoxy-methyl-propylsilyl)oxymethyl 2-methylprop-2-enoate
CID 87110398
5-[ethoxy(dipropyl)silyl]pentyl 2-methylprop-2-enoate
CID 140668073
2-[butyl(diethoxy)silyl]ethyl 2-methylprop-2-enoate
CID 139977821
[dibutyl(2-methylprop-2-enoyloxy)silyl] 2-methylprop-2-enoate
CID 153439669
2-tributoxysilylethyl 2-methylprop-2-enoate
CID 21432006
butyl 2-methylprop-2-enoate;carbamic acid
CID 174813698
3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 22094222
2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]-pentylsilyl]oxyethyl 2-methylprop-2-enoate
CID 101194851
butyl 2-methylprop-2-enoate;methane
CID 159646333
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
butyl 2-methylprop-2-enoate;ethene
CID 158758814

Frequently Asked Questions

What is the IUPAC name of tributylsilyloxymethyl 2-methylprop-2-enoate?
The IUPAC name of tributylsilyloxymethyl 2-methylprop-2-enoate (CID 171058418) is tributylsilyloxymethyl 2-methylprop-2-enoate.
What is the SMILES notation for tributylsilyloxymethyl 2-methylprop-2-enoate?
The canonical SMILES for tributylsilyloxymethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCO[Si](CCCC)(CCCC)CCCC.
What is the InChIKey of tributylsilyloxymethyl 2-methylprop-2-enoate?
The InChIKey is KFCYZYRZQVRYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-6-9-12-21(13-10-7-2,14-11-8-3)20-15-19-17(18)16(4)5/h4,6-15H2,1-3,5H3.
What are the key properties of tributylsilyloxymethyl 2-methylprop-2-enoate?
tributylsilyloxymethyl 2-methylprop-2-enoate has a molecular weight of 314.54 g/mol, XLogP of 5.43, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributylsilyloxymethyl 2-methylprop-2-enoate is sourced from PubChem (CID 171058418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).