hexakis(1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione);1-(2-ethylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

C95H132N24O24 — CID 158092891

IUPAChexakis(1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione);1-(2-ethylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC)c(=O)n(CC=C)c1=O.C=CCn1c(=O)n(CC)c(=O)n(CC=C)c1=O.C=CCn1c(=O)n(CC)c(=O)n(CC=C)c1=O.C=CCn1c(=O)n(CC)c(=O)n(CC=C)c1=O.C=CCn1c(=O)n(CC)c(=O)n(CC=C)c1=O.C=CCn1c(=O)n(CC)c(=O)n(CC=C)c1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CC(CC)CCCC)c1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O
InChIInChI=1S/C17H27N3O3.C12H15N3O3.6C11H15N3O3/c1-5-9-10-14(8-4)13-20-16(22)18(11-6-2)15(21)19(12-7-3)17(20)23;1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17;6*1-4-7-13-9(15)12(6-3)10(16)14(8-5-2)11(13)17/h6-7,14H,2-3,5,8-13H2,1,4H3;4-6H,1-3,7-9H2;6*4-5H,1-2,6-8H2,3H3
InChIKeyFOIAJDDATJLGSB-UHFFFAOYSA-N
MW1994.24 g/mol
LogP-1.13
Rot. Bonds46

About hexakis(1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione);1-(2-ethylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

hexakis(1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione);1-(2-ethylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 158092891) has the molecular formula C95H132N24O24 and a molecular weight of 1994.24 g/mol. Its IUPAC name is hexakis(1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione);1-(2-ethylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Namehexakis(1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione);1-(2-ethylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID158092891
Molecular FormulaC95H132N24O24
Molecular Weight1994.24 g/mol
Exact Mass1992.98
IUPAC Namehexakis(1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione);1-(2-ethylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC)c(=O)n(CC=C)c1=O.C=CCn1c(=O)n(CC)c(=O)n(CC=C)c1=O.C=CCn1c(=O)n(CC)c(=O)n(CC=C)c1=O.C=CCn1c(=O)n(CC)c(=O)n(CC=C)c1=O.C=CCn1c(=O)n(CC)c(=O)n(CC=C)c1=O.C=CCn1c(=O)n(CC)c(=O)n(CC=C)c1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CC(CC)CCCC)c1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O
InChIInChI=1S/C17H27N3O3.C12H15N3O3.6C11H15N3O3/c1-5-9-10-14(8-4)13-20-16(22)18(11-6-2)15(21)19(12-7-3)17(20)23;1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17;6*1-4-7-13-9(15)12(6-3)10(16)14(8-5-2)11(13)17/h6-7,14H,2-3,5,8-13H2,1,4H3;4-6H,1-3,7-9H2;6*4-5H,1-2,6-8H2,3H3
InChIKeyFOIAJDDATJLGSB-UHFFFAOYSA-N
XLogP-1.13
TPSA528.00 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds46
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001994.24
LogP ≤ 5-1.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze hexakis(1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione);1-(2-ethylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione with MolForge

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Related Compounds

1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 12612565
1-(2-hydroxypropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 70008029
1-methyl-3-nonyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 90337163
4-ethenyl-1-(2-ethylhexyl)pyrrolidin-2-one
CID 168683622
5-amino-1-ethyl-3-(2-ethylhexyl)pyrimidine-2,4-dione
CID 63800980
3-(2-ethylhexyl)-1-methylpyrimidine-2,4-dione
CID 63812378
1,3-bis(prop-2-enyl)-5-(tripentylsilylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 153322078
CID 153322092
CID 153322092
2,3,9,10-tetrabromo-6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
CID 70653710
(4S)-4-ethyloct-1-ene
CID 129373406
1-(2-ethylhexyl)-2-hydroxy-6-oxopyridine-3-carbonitrile
CID 67693947
5-amino-3-(2-ethylhexyl)-1-propylpyrimidine-2,4-dione
CID 63800991

Frequently Asked Questions

What is the IUPAC name of hexakis(1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione);1-(2-ethylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of hexakis(1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione);1-(2-ethylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 158092891) is hexakis(1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione);1-(2-ethylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for hexakis(1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione);1-(2-ethylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for hexakis(1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione);1-(2-ethylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is C=CCn1c(=O)n(CC)c(=O)n(CC=C)c1=O.C=CCn1c(=O)n(CC)c(=O)n(CC=C)c1=O.C=CCn1c(=O)n(CC)c(=O)n(CC=C)c1=O.C=CCn1c(=O)n(CC)c(=O)n(CC=C)c1=O.C=CCn1c(=O)n(CC)c(=O)n(CC=C)c1=O.C=CCn1c(=O)n(CC)c(=O)n(CC=C)c1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CC(CC)CCCC)c1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O.
What is the InChIKey of hexakis(1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione);1-(2-ethylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is FOIAJDDATJLGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3.C12H15N3O3.6C11H15N3O3/c1-5-9-10-14(8-4)13-20-16(22)18(11-6-2)15(21)19(12-7-3)17(20)23;1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17;6*1-4-7-13-9(15)12(6-3)10(16)14(8-5-2)11(13)17/h6-7,14H,2-3,5,8-13H2,1,4H3;4-6H,1-3,7-9H2;6*4-5H,1-2,6-8H2,3H3.
What are the key properties of hexakis(1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione);1-(2-ethylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
hexakis(1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione);1-(2-ethylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 1994.24 g/mol, XLogP of -1.13, 46 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione);1-(2-ethylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 158092891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).