1,3,5-tris(hept-6-enyl)-1,3,5-triazinane-2,4,6-trione

C24H39N3O3 — CID 153323053

IUPAC1,3,5-tris(hept-6-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCCCCCn1c(=O)n(CCCCCC=C)c(=O)n(CCCCCC=C)c1=O
InChIInChI=1S/C24H39N3O3/c1-4-7-10-13-16-19-25-22(28)26(20-17-14-11-8-5-2)24(30)27(23(25)29)21-18-15-12-9-6-3/h4-6H,1-3,7-21H2
InChIKeyVQIGPQCFACMNCG-UHFFFAOYSA-N
MW417.59 g/mol
LogP4.41
Rot. Bonds18

About 1,3,5-tris(hept-6-enyl)-1,3,5-triazinane-2,4,6-trione

1,3,5-tris(hept-6-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 153323053) has the molecular formula C24H39N3O3 and a molecular weight of 417.59 g/mol. Its IUPAC name is 1,3,5-tris(hept-6-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(hept-6-enyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID153323053
Molecular FormulaC24H39N3O3
Molecular Weight417.59 g/mol
Exact Mass417.30
IUPAC Name1,3,5-tris(hept-6-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCCCCCn1c(=O)n(CCCCCC=C)c(=O)n(CCCCCC=C)c1=O
InChIInChI=1S/C24H39N3O3/c1-4-7-10-13-16-19-25-22(28)26(20-17-14-11-8-5-2)24(30)27(23(25)29)21-18-15-12-9-6-3/h4-6H,1-3,7-21H2
InChIKeyVQIGPQCFACMNCG-UHFFFAOYSA-N
XLogP4.41
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.59
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 155329209
1,3-bis(hex-5-enyl)benzimidazol-2-one
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1-undec-10-enylpyrrole-2,5-diol
CID 54078128
1-oct-7-enylpyrrole-2,5-dione
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1-undec-10-enylpyrrole-2,5-dione
CID 86066335
3-oct-7-enyl-1H-pyrimidine-2,4-dione
CID 169034521
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
1-methyl-3-nonyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 90337163
1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 12612565
O-[2-[3,5-bis(2-hex-5-enethioyloxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl] hex-5-enethioate
CID 88761927

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(hept-6-enyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(hept-6-enyl)-1,3,5-triazinane-2,4,6-trione (CID 153323053) is 1,3,5-tris(hept-6-enyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(hept-6-enyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(hept-6-enyl)-1,3,5-triazinane-2,4,6-trione is C=CCCCCCn1c(=O)n(CCCCCC=C)c(=O)n(CCCCCC=C)c1=O.
What is the InChIKey of 1,3,5-tris(hept-6-enyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is VQIGPQCFACMNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O3/c1-4-7-10-13-16-19-25-22(28)26(20-17-14-11-8-5-2)24(30)27(23(25)29)21-18-15-12-9-6-3/h4-6H,1-3,7-21H2.
What are the key properties of 1,3,5-tris(hept-6-enyl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(hept-6-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 417.59 g/mol, XLogP of 4.41, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(hept-6-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 153323053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).