tris(2-methylprop-2-enyl)silylmethyl prop-2-enoate

C16H26O2Si — CID 167321925

IUPACtris(2-methylprop-2-enyl)silylmethyl prop-2-enoate
SMILESC=CC(=O)OC[Si](CC(=C)C)(CC(=C)C)CC(=C)C
InChIInChI=1S/C16H26O2Si/c1-8-16(17)18-12-19(9-13(2)3,10-14(4)5)11-15(6)7/h8H,1-2,4,6,9-12H2,3,5,7H3
InChIKeyMBQTZDIQCCIPGZ-UHFFFAOYSA-N
MW278.47 g/mol
LogP4.43
Rot. Bonds9

About tris(2-methylprop-2-enyl)silylmethyl prop-2-enoate

tris(2-methylprop-2-enyl)silylmethyl prop-2-enoate (PubChem CID 167321925) has the molecular formula C16H26O2Si and a molecular weight of 278.47 g/mol. Its IUPAC name is tris(2-methylprop-2-enyl)silylmethyl prop-2-enoate.

Molecular Properties

Compound Nametris(2-methylprop-2-enyl)silylmethyl prop-2-enoate
PubChem CID167321925
Molecular FormulaC16H26O2Si
Molecular Weight278.47 g/mol
Exact Mass278.17
IUPAC Nametris(2-methylprop-2-enyl)silylmethyl prop-2-enoate
SMILESC=CC(=O)OC[Si](CC(=C)C)(CC(=C)C)CC(=C)C
InChIInChI=1S/C16H26O2Si/c1-8-16(17)18-12-19(9-13(2)3,10-14(4)5)11-15(6)7/h8H,1-2,4,6,9-12H2,3,5,7H3
InChIKeyMBQTZDIQCCIPGZ-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[dimethyl(prop-2-enoyloxymethyl)silyl]methyl 2-methylprop-2-enoate
CID 150664135
2-methylprop-2-enoxymethyl prop-2-enoate
CID 140613206
[dichloro(ethyl)silyl]methyl prop-2-enoate
CID 140514635
acetic acid;ethyl prop-2-enoate;2-methylprop-1-ene
CID 174936944
tert-butyl 2-methylprop-2-enoate;trimethylsilylmethyl prop-2-enoate
CID 86753515
tri(butan-2-yl)silylmethyl prop-2-enoate
CID 141363387
[diethylamino(dimethyl)silyl]methyl prop-2-enoate
CID 18954911
[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]methyl prop-2-enoate
CID 141035069
3-ethoxy-2-methylprop-1-ene;ethyl prop-2-enoate;formaldehyde
CID 161479464
1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate
CID 57056208
ethenamine;ethyl prop-2-enoate
CID 22022699
2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate
CID 87837964

Frequently Asked Questions

What is the IUPAC name of tris(2-methylprop-2-enyl)silylmethyl prop-2-enoate?
The IUPAC name of tris(2-methylprop-2-enyl)silylmethyl prop-2-enoate (CID 167321925) is tris(2-methylprop-2-enyl)silylmethyl prop-2-enoate.
What is the SMILES notation for tris(2-methylprop-2-enyl)silylmethyl prop-2-enoate?
The canonical SMILES for tris(2-methylprop-2-enyl)silylmethyl prop-2-enoate is C=CC(=O)OC[Si](CC(=C)C)(CC(=C)C)CC(=C)C.
What is the InChIKey of tris(2-methylprop-2-enyl)silylmethyl prop-2-enoate?
The InChIKey is MBQTZDIQCCIPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2Si/c1-8-16(17)18-12-19(9-13(2)3,10-14(4)5)11-15(6)7/h8H,1-2,4,6,9-12H2,3,5,7H3.
What are the key properties of tris(2-methylprop-2-enyl)silylmethyl prop-2-enoate?
tris(2-methylprop-2-enyl)silylmethyl prop-2-enoate has a molecular weight of 278.47 g/mol, XLogP of 4.43, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylprop-2-enyl)silylmethyl prop-2-enoate is sourced from PubChem (CID 167321925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).