5-[ethoxy(dipropyl)silyl]pentyl 2-methylprop-2-enoate

C17H34O3Si — CID 140668073

IUPAC5-[ethoxy(dipropyl)silyl]pentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCC[Si](CCC)(CCC)OCC
InChIInChI=1S/C17H34O3Si/c1-6-13-21(14-7-2,20-8-3)15-11-9-10-12-19-17(18)16(4)5/h4,6-15H2,1-3,5H3
InChIKeyVNTAGSGVSRHKHR-UHFFFAOYSA-N
MW314.54 g/mol
LogP5.08
Rot. Bonds13

About 5-[ethoxy(dipropyl)silyl]pentyl 2-methylprop-2-enoate

5-[ethoxy(dipropyl)silyl]pentyl 2-methylprop-2-enoate (PubChem CID 140668073) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is 5-[ethoxy(dipropyl)silyl]pentyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name5-[ethoxy(dipropyl)silyl]pentyl 2-methylprop-2-enoate
PubChem CID140668073
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name5-[ethoxy(dipropyl)silyl]pentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCC[Si](CCC)(CCC)OCC
InChIInChI=1S/C17H34O3Si/c1-6-13-21(14-7-2,20-8-3)15-11-9-10-12-19-17(18)16(4)5/h4,6-15H2,1-3,5H3
InChIKeyVNTAGSGVSRHKHR-UHFFFAOYSA-N
XLogP5.08
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 ≤ 55.08
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

4-[methoxy(dipropyl)silyl]butyl 2-methylprop-2-enoate
CID 140668251
5-[diethoxy(ethyl)silyl]pentyl 2-methylprop-2-enoate
CID 139712375
9-tripropoxysilylnonyl 2-methylprop-2-enoate
CID 170637686
4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977875
3-[dipropyl(trimethylsilyloxy)silyl]propyl 2-methylprop-2-enoate
CID 18739228
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
11-[dihexoxy(methyl)silyl]undecyl 2-methylprop-2-enoate
CID 142567348
18-triiodosilyloctadecyl 2-methylprop-2-enoate
CID 156681536
methane;nonyl 2-methylprop-2-enoate
CID 174847930

Frequently Asked Questions

What is the IUPAC name of 5-[ethoxy(dipropyl)silyl]pentyl 2-methylprop-2-enoate?
The IUPAC name of 5-[ethoxy(dipropyl)silyl]pentyl 2-methylprop-2-enoate (CID 140668073) is 5-[ethoxy(dipropyl)silyl]pentyl 2-methylprop-2-enoate.
What is the SMILES notation for 5-[ethoxy(dipropyl)silyl]pentyl 2-methylprop-2-enoate?
The canonical SMILES for 5-[ethoxy(dipropyl)silyl]pentyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCC[Si](CCC)(CCC)OCC.
What is the InChIKey of 5-[ethoxy(dipropyl)silyl]pentyl 2-methylprop-2-enoate?
The InChIKey is VNTAGSGVSRHKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-6-13-21(14-7-2,20-8-3)15-11-9-10-12-19-17(18)16(4)5/h4,6-15H2,1-3,5H3.
What are the key properties of 5-[ethoxy(dipropyl)silyl]pentyl 2-methylprop-2-enoate?
5-[ethoxy(dipropyl)silyl]pentyl 2-methylprop-2-enoate has a molecular weight of 314.54 g/mol, XLogP of 5.08, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethoxy(dipropyl)silyl]pentyl 2-methylprop-2-enoate is sourced from PubChem (CID 140668073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).