4-[dibutyl(ethoxy)silyl]butyl prop-2-enoate

C17H34O3Si — CID 150064370

IUPAC4-[dibutyl(ethoxy)silyl]butyl prop-2-enoate
SMILESC=CC(=O)OCCCC[Si](CCCC)(CCCC)OCC
InChIInChI=1S/C17H34O3Si/c1-5-9-14-21(20-8-4,15-10-6-2)16-12-11-13-19-17(18)7-3/h7H,3,5-6,8-16H2,1-2,4H3
InChIKeyDNYNCLWFDGFCCA-UHFFFAOYSA-N
MW314.54 g/mol
LogP5.08
Rot. Bonds14

About 4-[dibutyl(ethoxy)silyl]butyl prop-2-enoate

4-[dibutyl(ethoxy)silyl]butyl prop-2-enoate (PubChem CID 150064370) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is 4-[dibutyl(ethoxy)silyl]butyl prop-2-enoate.

Molecular Properties

Compound Name4-[dibutyl(ethoxy)silyl]butyl prop-2-enoate
PubChem CID150064370
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name4-[dibutyl(ethoxy)silyl]butyl prop-2-enoate
SMILESC=CC(=O)OCCCC[Si](CCCC)(CCCC)OCC
InChIInChI=1S/C17H34O3Si/c1-5-9-14-21(20-8-4,15-10-6-2)16-12-11-13-19-17(18)7-3/h7H,3,5-6,8-16H2,1-2,4H3
InChIKeyDNYNCLWFDGFCCA-UHFFFAOYSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[butoxy(diethyl)silyl]propyl prop-2-enoate
CID 152603215
4-[butoxy(dimethyl)silyl]butyl prop-2-enoate
CID 151407339
pentyl prop-2-enoate;prop-2-enamide
CID 175210545
hexyl prop-2-enoate
CID 17259
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
9-[ethoxy(dimethoxy)silyl]nonyl prop-2-enoate
CID 170945913
3-[dioctadecyl(trimethylsilyloxy)silyl]propyl prop-2-enoate
CID 21305389

Frequently Asked Questions

What is the IUPAC name of 4-[dibutyl(ethoxy)silyl]butyl prop-2-enoate?
The IUPAC name of 4-[dibutyl(ethoxy)silyl]butyl prop-2-enoate (CID 150064370) is 4-[dibutyl(ethoxy)silyl]butyl prop-2-enoate.
What is the SMILES notation for 4-[dibutyl(ethoxy)silyl]butyl prop-2-enoate?
The canonical SMILES for 4-[dibutyl(ethoxy)silyl]butyl prop-2-enoate is C=CC(=O)OCCCC[Si](CCCC)(CCCC)OCC.
What is the InChIKey of 4-[dibutyl(ethoxy)silyl]butyl prop-2-enoate?
The InChIKey is DNYNCLWFDGFCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-5-9-14-21(20-8-4,15-10-6-2)16-12-11-13-19-17(18)7-3/h7H,3,5-6,8-16H2,1-2,4H3.
What are the key properties of 4-[dibutyl(ethoxy)silyl]butyl prop-2-enoate?
4-[dibutyl(ethoxy)silyl]butyl prop-2-enoate has a molecular weight of 314.54 g/mol, XLogP of 5.08, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dibutyl(ethoxy)silyl]butyl prop-2-enoate is sourced from PubChem (CID 150064370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).