2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate

C14H14O8 — CID 19981602

IUPAC2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCC(OC(=O)C=C)(OC(=O)C=C)OC(=O)C=C
InChIInChI=1S/C14H14O8/c1-5-10(15)19-9-14(20-11(16)6-2,21-12(17)7-3)22-13(18)8-4/h5-8H,1-4,9H2
InChIKeyFCXUNVKOIASAHV-UHFFFAOYSA-N
MW310.26 g/mol
LogP0.56
Rot. Bonds9

About 2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate

2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate (PubChem CID 19981602) has the molecular formula C14H14O8 and a molecular weight of 310.26 g/mol. Its IUPAC name is 2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate
PubChem CID19981602
Molecular FormulaC14H14O8
Molecular Weight310.26 g/mol
Exact Mass310.07
IUPAC Name2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCC(OC(=O)C=C)(OC(=O)C=C)OC(=O)C=C
InChIInChI=1S/C14H14O8/c1-5-10(15)19-9-14(20-11(16)6-2,21-12(17)7-3)22-13(18)8-4/h5-8H,1-4,9H2
InChIKeyFCXUNVKOIASAHV-UHFFFAOYSA-N
XLogP0.56
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-phosphonooxy-2,2-di(prop-2-enoyloxy)ethyl] prop-2-enoate;prop-2-enoic acid
CID 146473580
boranuide;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 161197836
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
ethane-1,2-diamine;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 131736476
1,1,2-tris(trimethylsilyloxy)ethyl prop-2-enoate
CID 22677159
[2,2-bis(hydroxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 159645135
2,2,3-trihydroxypropyl prop-2-enoate
CID 141124869
(2-amino-2-ethylbutyl) prop-2-enoate
CID 57112910
[3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-prop-2-enoyloxy-2,2,9,9-tetrakis(prop-2-enoyloxymethyl)decyl] prop-2-enoate
CID 118919135
[2-prop-2-enoyloxy-3-propoxy-2-(propoxymethyl)propyl] prop-2-enoate
CID 58610616
[2-[4-hydroxy-3,3-bis(hydroxymethyl)butan-2-yl]oxy-1,1-di(prop-2-enoyloxy)ethyl] prop-2-enoate
CID 22377999
[2-methyl-2-[(2S)-2-methyl-2-prop-2-enoyloxybutoxy]butyl] prop-2-enoate
CID 118346070

Frequently Asked Questions

What is the IUPAC name of 2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate?
The IUPAC name of 2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate (CID 19981602) is 2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate.
What is the SMILES notation for 2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate?
The canonical SMILES for 2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate is C=CC(=O)OCC(OC(=O)C=C)(OC(=O)C=C)OC(=O)C=C.
What is the InChIKey of 2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate?
The InChIKey is FCXUNVKOIASAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O8/c1-5-10(15)19-9-14(20-11(16)6-2,21-12(17)7-3)22-13(18)8-4/h5-8H,1-4,9H2.
What are the key properties of 2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate?
2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate has a molecular weight of 310.26 g/mol, XLogP of 0.56, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate is sourced from PubChem (CID 19981602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).