3-[3-prop-2-enoyloxypropyl(dipropyl)silyl]propyl prop-2-enoate

C18H32O4Si — CID 87228396

IUPAC3-[3-prop-2-enoyloxypropyl(dipropyl)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](CCC)(CCC)CCCOC(=O)C=C
InChIInChI=1S/C18H32O4Si/c1-5-13-23(14-6-2,15-9-11-21-17(19)7-3)16-10-12-22-18(20)8-4/h7-8H,3-6,9-16H2,1-2H3
InChIKeyUAKMJGVDWWBRCG-UHFFFAOYSA-N
MW340.54 g/mol
LogP4.49
Rot. Bonds14

About 3-[3-prop-2-enoyloxypropyl(dipropyl)silyl]propyl prop-2-enoate

3-[3-prop-2-enoyloxypropyl(dipropyl)silyl]propyl prop-2-enoate (PubChem CID 87228396) has the molecular formula C18H32O4Si and a molecular weight of 340.54 g/mol. Its IUPAC name is 3-[3-prop-2-enoyloxypropyl(dipropyl)silyl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[3-prop-2-enoyloxypropyl(dipropyl)silyl]propyl prop-2-enoate
PubChem CID87228396
Molecular FormulaC18H32O4Si
Molecular Weight340.54 g/mol
Exact Mass340.21
IUPAC Name3-[3-prop-2-enoyloxypropyl(dipropyl)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](CCC)(CCC)CCCOC(=O)C=C
InChIInChI=1S/C18H32O4Si/c1-5-13-23(14-6-2,15-9-11-21-17(19)7-3)16-10-12-22-18(20)8-4/h7-8H,3-6,9-16H2,1-2H3
InChIKeyUAKMJGVDWWBRCG-UHFFFAOYSA-N
XLogP4.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[tris(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate
CID 140784915
3-[dimethoxy(propyl)silyl]propyl prop-2-enoate
CID 21432068
3-[dipropoxy(propyl)silyl]propyl prop-2-enoate
CID 21432072
3-tris(prop-2-enyl)silylpropyl prop-2-enoate
CID 125370311
3-[[bis[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]-propylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate
CID 166010478
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
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-prop-2-enoyloxypropyl(dipropyl)silyl]propyl prop-2-enoate?
The IUPAC name of 3-[3-prop-2-enoyloxypropyl(dipropyl)silyl]propyl prop-2-enoate (CID 87228396) is 3-[3-prop-2-enoyloxypropyl(dipropyl)silyl]propyl prop-2-enoate.
What is the SMILES notation for 3-[3-prop-2-enoyloxypropyl(dipropyl)silyl]propyl prop-2-enoate?
The canonical SMILES for 3-[3-prop-2-enoyloxypropyl(dipropyl)silyl]propyl prop-2-enoate is C=CC(=O)OCCC[Si](CCC)(CCC)CCCOC(=O)C=C.
What is the InChIKey of 3-[3-prop-2-enoyloxypropyl(dipropyl)silyl]propyl prop-2-enoate?
The InChIKey is UAKMJGVDWWBRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4Si/c1-5-13-23(14-6-2,15-9-11-21-17(19)7-3)16-10-12-22-18(20)8-4/h7-8H,3-6,9-16H2,1-2H3.
What are the key properties of 3-[3-prop-2-enoyloxypropyl(dipropyl)silyl]propyl prop-2-enoate?
3-[3-prop-2-enoyloxypropyl(dipropyl)silyl]propyl prop-2-enoate has a molecular weight of 340.54 g/mol, XLogP of 4.49, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-prop-2-enoyloxypropyl(dipropyl)silyl]propyl prop-2-enoate is sourced from PubChem (CID 87228396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).