tri(butan-2-yl)silylmethyl prop-2-enoate

C16H32O2Si — CID 141363387

IUPACtri(butan-2-yl)silylmethyl prop-2-enoate
SMILESC=CC(=O)OC[Si](C(C)CC)(C(C)CC)C(C)CC
InChIInChI=1S/C16H32O2Si/c1-8-13(5)19(14(6)9-2,15(7)10-3)12-18-16(17)11-4/h11,13-15H,4,8-10,12H2,1-3,5-7H3
InChIKeyJFXPCGBNMZIIDJ-UHFFFAOYSA-N
MW284.52 g/mol
LogP5.10
Rot. Bonds9

About tri(butan-2-yl)silylmethyl prop-2-enoate

tri(butan-2-yl)silylmethyl prop-2-enoate (PubChem CID 141363387) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is tri(butan-2-yl)silylmethyl prop-2-enoate.

Molecular Properties

Compound Nametri(butan-2-yl)silylmethyl prop-2-enoate
PubChem CID141363387
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Nametri(butan-2-yl)silylmethyl prop-2-enoate
SMILESC=CC(=O)OC[Si](C(C)CC)(C(C)CC)C(C)CC
InChIInChI=1S/C16H32O2Si/c1-8-13(5)19(14(6)9-2,15(7)10-3)12-18-16(17)11-4/h11,13-15H,4,8-10,12H2,1-3,5-7H3
InChIKeyJFXPCGBNMZIIDJ-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.52
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[dichloro(ethyl)silyl]methyl prop-2-enoate
CID 140514635
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
[diethylamino(dimethyl)silyl]methyl prop-2-enoate
CID 18954911
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;hydrochloride
CID 87359594
2-tri(butan-2-yloxy)silylethyl prop-2-enoate
CID 142675129
[di(butan-2-yl)-tri(propan-2-yl)silyloxysilyl] prop-2-enoate
CID 87430711
[di(butan-2-yl)-(2,3-dimethylbutan-2-yl)silyl] prop-2-enoate
CID 87879688
[3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] 2-methylbutanoate
CID 58805573
4-methylhexyl prop-2-enoate
CID 58980362

Frequently Asked Questions

What is the IUPAC name of tri(butan-2-yl)silylmethyl prop-2-enoate?
The IUPAC name of tri(butan-2-yl)silylmethyl prop-2-enoate (CID 141363387) is tri(butan-2-yl)silylmethyl prop-2-enoate.
What is the SMILES notation for tri(butan-2-yl)silylmethyl prop-2-enoate?
The canonical SMILES for tri(butan-2-yl)silylmethyl prop-2-enoate is C=CC(=O)OC[Si](C(C)CC)(C(C)CC)C(C)CC.
What is the InChIKey of tri(butan-2-yl)silylmethyl prop-2-enoate?
The InChIKey is JFXPCGBNMZIIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-8-13(5)19(14(6)9-2,15(7)10-3)12-18-16(17)11-4/h11,13-15H,4,8-10,12H2,1-3,5-7H3.
What are the key properties of tri(butan-2-yl)silylmethyl prop-2-enoate?
tri(butan-2-yl)silylmethyl prop-2-enoate has a molecular weight of 284.52 g/mol, XLogP of 5.10, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(butan-2-yl)silylmethyl prop-2-enoate is sourced from PubChem (CID 141363387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).