3-[4,6-bis(2-prop-2-enoyloxyethoxy)-1,3,5-triazin-2-yl]propyl prop-2-enoate

C19H23N3O8 — CID 158251323

IUPAC3-[4,6-bis(2-prop-2-enoyloxyethoxy)-1,3,5-triazin-2-yl]propyl prop-2-enoate
SMILESC=CC(=O)OCCCc1nc(OCCOC(=O)C=C)nc(OCCOC(=O)C=C)n1
InChIInChI=1S/C19H23N3O8/c1-4-15(23)26-9-7-8-14-20-18(29-12-10-27-16(24)5-2)22-19(21-14)30-13-11-28-17(25)6-3/h4-6H,1-3,7-13H2
InChIKeyXOTMPAVQNAHDFF-UHFFFAOYSA-N
MW421.41 g/mol
LogP0.75
Rot. Bonds15

About 3-[4,6-bis(2-prop-2-enoyloxyethoxy)-1,3,5-triazin-2-yl]propyl prop-2-enoate

3-[4,6-bis(2-prop-2-enoyloxyethoxy)-1,3,5-triazin-2-yl]propyl prop-2-enoate (PubChem CID 158251323) has the molecular formula C19H23N3O8 and a molecular weight of 421.41 g/mol. Its IUPAC name is 3-[4,6-bis(2-prop-2-enoyloxyethoxy)-1,3,5-triazin-2-yl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[4,6-bis(2-prop-2-enoyloxyethoxy)-1,3,5-triazin-2-yl]propyl prop-2-enoate
PubChem CID158251323
Molecular FormulaC19H23N3O8
Molecular Weight421.41 g/mol
Exact Mass421.15
IUPAC Name3-[4,6-bis(2-prop-2-enoyloxyethoxy)-1,3,5-triazin-2-yl]propyl prop-2-enoate
SMILESC=CC(=O)OCCCc1nc(OCCOC(=O)C=C)nc(OCCOC(=O)C=C)n1
InChIInChI=1S/C19H23N3O8/c1-4-15(23)26-9-7-8-14-20-18(29-12-10-27-16(24)5-2)22-19(21-14)30-13-11-28-17(25)6-3/h4-6H,1-3,7-13H2
InChIKeyXOTMPAVQNAHDFF-UHFFFAOYSA-N
XLogP0.75
TPSA136.03 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.41
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[4,6-bis(phenylsulfanyl)-1,3,5-triazin-2-yl]oxy]ethyl prop-2-enoate
CID 121373988
4-[[4-naphthalen-1-yloxy-6-(4-prop-2-enoyloxybutoxy)-1,3,5-triazin-2-yl]oxy]butyl prop-2-enoate
CID 118672397
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)oxy]ethyl prop-2-enoate
CID 68786519
3-[tris(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate
CID 140784915
3-[2-(aminomethyl)phenyl]propyl prop-2-enoate
CID 174579618
2-quinoxalin-2-yloxyethyl prop-2-enoate
CID 59502779
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
3-carbamoyloxypropyl prop-2-enoate
CID 58831010

Frequently Asked Questions

What is the IUPAC name of 3-[4,6-bis(2-prop-2-enoyloxyethoxy)-1,3,5-triazin-2-yl]propyl prop-2-enoate?
The IUPAC name of 3-[4,6-bis(2-prop-2-enoyloxyethoxy)-1,3,5-triazin-2-yl]propyl prop-2-enoate (CID 158251323) is 3-[4,6-bis(2-prop-2-enoyloxyethoxy)-1,3,5-triazin-2-yl]propyl prop-2-enoate.
What is the SMILES notation for 3-[4,6-bis(2-prop-2-enoyloxyethoxy)-1,3,5-triazin-2-yl]propyl prop-2-enoate?
The canonical SMILES for 3-[4,6-bis(2-prop-2-enoyloxyethoxy)-1,3,5-triazin-2-yl]propyl prop-2-enoate is C=CC(=O)OCCCc1nc(OCCOC(=O)C=C)nc(OCCOC(=O)C=C)n1.
What is the InChIKey of 3-[4,6-bis(2-prop-2-enoyloxyethoxy)-1,3,5-triazin-2-yl]propyl prop-2-enoate?
The InChIKey is XOTMPAVQNAHDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O8/c1-4-15(23)26-9-7-8-14-20-18(29-12-10-27-16(24)5-2)22-19(21-14)30-13-11-28-17(25)6-3/h4-6H,1-3,7-13H2.
What are the key properties of 3-[4,6-bis(2-prop-2-enoyloxyethoxy)-1,3,5-triazin-2-yl]propyl prop-2-enoate?
3-[4,6-bis(2-prop-2-enoyloxyethoxy)-1,3,5-triazin-2-yl]propyl prop-2-enoate has a molecular weight of 421.41 g/mol, XLogP of 0.75, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-bis(2-prop-2-enoyloxyethoxy)-1,3,5-triazin-2-yl]propyl prop-2-enoate is sourced from PubChem (CID 158251323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).