1,3-bis(prop-2-enyl)-5-[2-[2-[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethoxy]ethoxy]ethyl]-1,3,5-triazinane-2,4,6-trione

C24H32N6O8 — CID 122606130

IUPAC1,3-bis(prop-2-enyl)-5-[2-[2-[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethoxy]ethoxy]ethyl]-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CCOCCOCCn2c(=O)n(CC=C)c(=O)n(CC=C)c2=O)c1=O
InChIInChI=1S/C24H32N6O8/c1-5-9-25-19(31)26(10-6-2)22(34)29(21(25)33)13-15-37-17-18-38-16-14-30-23(35)27(11-7-3)20(32)28(12-8-4)24(30)36/h5-8H,1-4,9-18H2
InChIKeyXCAOWWKUYIXZTI-UHFFFAOYSA-N
MW532.55 g/mol
LogP-1.87
Rot. Bonds17

About 1,3-bis(prop-2-enyl)-5-[2-[2-[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethoxy]ethoxy]ethyl]-1,3,5-triazinane-2,4,6-trione

1,3-bis(prop-2-enyl)-5-[2-[2-[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethoxy]ethoxy]ethyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 122606130) has the molecular formula C24H32N6O8 and a molecular weight of 532.55 g/mol. Its IUPAC name is 1,3-bis(prop-2-enyl)-5-[2-[2-[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethoxy]ethoxy]ethyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(prop-2-enyl)-5-[2-[2-[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethoxy]ethoxy]ethyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID122606130
Molecular FormulaC24H32N6O8
Molecular Weight532.55 g/mol
Exact Mass532.23
IUPAC Name1,3-bis(prop-2-enyl)-5-[2-[2-[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethoxy]ethoxy]ethyl]-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CCOCCOCCn2c(=O)n(CC=C)c(=O)n(CC=C)c2=O)c1=O
InChIInChI=1S/C24H32N6O8/c1-5-9-25-19(31)26(10-6-2)22(34)29(21(25)33)13-15-37-17-18-38-16-14-30-23(35)27(11-7-3)20(32)28(12-8-4)24(30)36/h5-8H,1-4,9-18H2
InChIKeyXCAOWWKUYIXZTI-UHFFFAOYSA-N
XLogP-1.87
TPSA150.46 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.55
LogP ≤ 5-1.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(prop-2-enyl)-5-[2-[2-[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethoxy]ethoxy]ethyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(prop-2-enyl)-5-[2-[2-[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethoxy]ethoxy]ethyl]-1,3,5-triazinane-2,4,6-trione (CID 122606130) is 1,3-bis(prop-2-enyl)-5-[2-[2-[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethoxy]ethoxy]ethyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(prop-2-enyl)-5-[2-[2-[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethoxy]ethoxy]ethyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(prop-2-enyl)-5-[2-[2-[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethoxy]ethoxy]ethyl]-1,3,5-triazinane-2,4,6-trione is C=CCn1c(=O)n(CC=C)c(=O)n(CCOCCOCCn2c(=O)n(CC=C)c(=O)n(CC=C)c2=O)c1=O.
What is the InChIKey of 1,3-bis(prop-2-enyl)-5-[2-[2-[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethoxy]ethoxy]ethyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is XCAOWWKUYIXZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O8/c1-5-9-25-19(31)26(10-6-2)22(34)29(21(25)33)13-15-37-17-18-38-16-14-30-23(35)27(11-7-3)20(32)28(12-8-4)24(30)36/h5-8H,1-4,9-18H2.
What are the key properties of 1,3-bis(prop-2-enyl)-5-[2-[2-[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethoxy]ethoxy]ethyl]-1,3,5-triazinane-2,4,6-trione?
1,3-bis(prop-2-enyl)-5-[2-[2-[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethoxy]ethoxy]ethyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 532.55 g/mol, XLogP of -1.87, 17 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-2-enyl)-5-[2-[2-[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethoxy]ethoxy]ethyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 122606130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).