5-[2-ethoxyethyl(propyl)silyl]pentyl 2-methylprop-2-enoate

C16H32O3Si — CID 154238941

IUPAC5-[2-ethoxyethyl(propyl)silyl]pentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCC[SiH](CCC)CCOCC
InChIInChI=1S/C16H32O3Si/c1-5-12-20(14-11-18-6-2)13-9-7-8-10-19-16(17)15(3)4/h20H,3,5-14H2,1-2,4H3
InChIKeySONMWZLIYMSPSB-UHFFFAOYSA-N
MW300.51 g/mol
LogP3.95
Rot. Bonds13

About 5-[2-ethoxyethyl(propyl)silyl]pentyl 2-methylprop-2-enoate

5-[2-ethoxyethyl(propyl)silyl]pentyl 2-methylprop-2-enoate (PubChem CID 154238941) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is 5-[2-ethoxyethyl(propyl)silyl]pentyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name5-[2-ethoxyethyl(propyl)silyl]pentyl 2-methylprop-2-enoate
PubChem CID154238941
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name5-[2-ethoxyethyl(propyl)silyl]pentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCC[SiH](CCC)CCOCC
InChIInChI=1S/C16H32O3Si/c1-5-12-20(14-11-18-6-2)13-9-7-8-10-19-16(17)15(3)4/h20H,3,5-14H2,1-2,4H3
InChIKeySONMWZLIYMSPSB-UHFFFAOYSA-N
XLogP3.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 53.95
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

5-[ethoxymethyl(ethyl)silyl]pentyl 2-methylprop-2-enoate
CID 154349930
butan-1-ol;heptyl 2-methylprop-2-enoate
CID 118690093
octatetracontyl 2-methylprop-2-enoate
CID 141233444
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
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
12-octoxydodecyl 2-methylprop-2-enoate
CID 139797904
5-pentoxypentyl 2-methylprop-2-enoate
CID 139797922
10-pentoxydecyl 2-methylprop-2-enoate
CID 139797940
methane;nonyl 2-methylprop-2-enoate
CID 174847930
methane;tridecyl 2-methylprop-2-enoate
CID 174863529
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000

Frequently Asked Questions

What is the IUPAC name of 5-[2-ethoxyethyl(propyl)silyl]pentyl 2-methylprop-2-enoate?
The IUPAC name of 5-[2-ethoxyethyl(propyl)silyl]pentyl 2-methylprop-2-enoate (CID 154238941) is 5-[2-ethoxyethyl(propyl)silyl]pentyl 2-methylprop-2-enoate.
What is the SMILES notation for 5-[2-ethoxyethyl(propyl)silyl]pentyl 2-methylprop-2-enoate?
The canonical SMILES for 5-[2-ethoxyethyl(propyl)silyl]pentyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCC[SiH](CCC)CCOCC.
What is the InChIKey of 5-[2-ethoxyethyl(propyl)silyl]pentyl 2-methylprop-2-enoate?
The InChIKey is SONMWZLIYMSPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-5-12-20(14-11-18-6-2)13-9-7-8-10-19-16(17)15(3)4/h20H,3,5-14H2,1-2,4H3.
What are the key properties of 5-[2-ethoxyethyl(propyl)silyl]pentyl 2-methylprop-2-enoate?
5-[2-ethoxyethyl(propyl)silyl]pentyl 2-methylprop-2-enoate has a molecular weight of 300.51 g/mol, XLogP of 3.95, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethoxyethyl(propyl)silyl]pentyl 2-methylprop-2-enoate is sourced from PubChem (CID 154238941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).