3-tripentoxysilylpropyl prop-2-enoate

C21H42O5Si — CID 151204895

IUPAC3-tripentoxysilylpropyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](OCCCCC)(OCCCCC)OCCCCC
InChIInChI=1S/C21H42O5Si/c1-5-9-12-17-24-27(25-18-13-10-6-2,26-19-14-11-7-3)20-15-16-23-21(22)8-4/h8H,4-7,9-20H2,1-3H3
InChIKeyNJBLZVPJQLYSGG-UHFFFAOYSA-N
MW402.65 g/mol
LogP5.66
Rot. Bonds20

About 3-tripentoxysilylpropyl prop-2-enoate

3-tripentoxysilylpropyl prop-2-enoate (PubChem CID 151204895) has the molecular formula C21H42O5Si and a molecular weight of 402.65 g/mol. Its IUPAC name is 3-tripentoxysilylpropyl prop-2-enoate.

Molecular Properties

Compound Name3-tripentoxysilylpropyl prop-2-enoate
PubChem CID151204895
Molecular FormulaC21H42O5Si
Molecular Weight402.65 g/mol
Exact Mass402.28
IUPAC Name3-tripentoxysilylpropyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](OCCCCC)(OCCCCC)OCCCCC
InChIInChI=1S/C21H42O5Si/c1-5-9-12-17-24-27(25-18-13-10-6-2,26-19-14-11-7-3)20-15-16-23-21(22)8-4/h8H,4-7,9-20H2,1-3H3
InChIKeyNJBLZVPJQLYSGG-UHFFFAOYSA-N
XLogP5.66
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.65
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-[diethoxy(undecyl)silyl]oxyethyl prop-2-enoate
CID 151648316
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
pentatriacontyl prop-2-enoate
CID 141309454
hexyl prop-2-enoate
CID 17259
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
prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate
CID 158718289
4-[dibutoxy(4-prop-2-enoyloxybutoxy)silyl]oxybutyl prop-2-enoate
CID 139621276
3-trioctoxysilylpropyl but-2-enoate
CID 57136236
azane;octyl prop-2-enoate
CID 175482602

Frequently Asked Questions

What is the IUPAC name of 3-tripentoxysilylpropyl prop-2-enoate?
The IUPAC name of 3-tripentoxysilylpropyl prop-2-enoate (CID 151204895) is 3-tripentoxysilylpropyl prop-2-enoate.
What is the SMILES notation for 3-tripentoxysilylpropyl prop-2-enoate?
The canonical SMILES for 3-tripentoxysilylpropyl prop-2-enoate is C=CC(=O)OCCC[Si](OCCCCC)(OCCCCC)OCCCCC.
What is the InChIKey of 3-tripentoxysilylpropyl prop-2-enoate?
The InChIKey is NJBLZVPJQLYSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O5Si/c1-5-9-12-17-24-27(25-18-13-10-6-2,26-19-14-11-7-3)20-15-16-23-21(22)8-4/h8H,4-7,9-20H2,1-3H3.
What are the key properties of 3-tripentoxysilylpropyl prop-2-enoate?
3-tripentoxysilylpropyl prop-2-enoate has a molecular weight of 402.65 g/mol, XLogP of 5.66, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tripentoxysilylpropyl prop-2-enoate is sourced from PubChem (CID 151204895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).