2-tri(butan-2-yloxy)silylethyl prop-2-enoate

C17H34O5Si — CID 142675129

IUPAC2-tri(butan-2-yloxy)silylethyl prop-2-enoate
SMILESC=CC(=O)OCC[Si](OC(C)CC)(OC(C)CC)OC(C)CC
InChIInChI=1S/C17H34O5Si/c1-8-14(5)20-23(21-15(6)9-2,22-16(7)10-3)13-12-19-17(18)11-4/h11,14-16H,4,8-10,12-13H2,1-3,5-7H3
InChIKeyOQFIHRLUVBMFGU-UHFFFAOYSA-N
MW346.54 g/mol
LogP4.10
Rot. Bonds13

About 2-tri(butan-2-yloxy)silylethyl prop-2-enoate

2-tri(butan-2-yloxy)silylethyl prop-2-enoate (PubChem CID 142675129) has the molecular formula C17H34O5Si and a molecular weight of 346.54 g/mol. Its IUPAC name is 2-tri(butan-2-yloxy)silylethyl prop-2-enoate.

Molecular Properties

Compound Name2-tri(butan-2-yloxy)silylethyl prop-2-enoate
PubChem CID142675129
Molecular FormulaC17H34O5Si
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Name2-tri(butan-2-yloxy)silylethyl prop-2-enoate
SMILESC=CC(=O)OCC[Si](OC(C)CC)(OC(C)CC)OC(C)CC
InChIInChI=1S/C17H34O5Si/c1-8-14(5)20-23(21-15(6)9-2,22-16(7)10-3)13-12-19-17(18)11-4/h11,14-16H,4,8-10,12-13H2,1-3,5-7H3
InChIKeyOQFIHRLUVBMFGU-UHFFFAOYSA-N
XLogP4.10
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-tri(propan-2-yloxy)silylbutyl prop-2-enoate
CID 141323279
3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate
CID 19016961
3,4,4-trimethylpentyl prop-2-enoate
CID 151450744
3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365
[(4R)-4-triethylsilyloxypentyl] prop-2-enoate
CID 141157496
4-methylhexyl prop-2-enoate
CID 58980362
ethyl 2-methyl-4-prop-2-enoyloxybutanoate
CID 59157368
2-[2-(2-trimethoxysilylethoxy)ethoxy]ethyl prop-2-enoate
CID 171586967
3-chlorohexyl prop-2-enoate
CID 150301446
3-[diethyl(propan-2-yl)silyl]propyl prop-2-enoate
CID 141179132
CID 172734708
CID 172734708
3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate
CID 140990688

Frequently Asked Questions

What is the IUPAC name of 2-tri(butan-2-yloxy)silylethyl prop-2-enoate?
The IUPAC name of 2-tri(butan-2-yloxy)silylethyl prop-2-enoate (CID 142675129) is 2-tri(butan-2-yloxy)silylethyl prop-2-enoate.
What is the SMILES notation for 2-tri(butan-2-yloxy)silylethyl prop-2-enoate?
The canonical SMILES for 2-tri(butan-2-yloxy)silylethyl prop-2-enoate is C=CC(=O)OCC[Si](OC(C)CC)(OC(C)CC)OC(C)CC.
What is the InChIKey of 2-tri(butan-2-yloxy)silylethyl prop-2-enoate?
The InChIKey is OQFIHRLUVBMFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O5Si/c1-8-14(5)20-23(21-15(6)9-2,22-16(7)10-3)13-12-19-17(18)11-4/h11,14-16H,4,8-10,12-13H2,1-3,5-7H3.
What are the key properties of 2-tri(butan-2-yloxy)silylethyl prop-2-enoate?
2-tri(butan-2-yloxy)silylethyl prop-2-enoate has a molecular weight of 346.54 g/mol, XLogP of 4.10, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tri(butan-2-yloxy)silylethyl prop-2-enoate is sourced from PubChem (CID 142675129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).