2-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 2-methylprop-2-enoate

C21H33N3O6 — CID 18314417

IUPAC2-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN1CN(CCOC(=O)C(=C)C)CN(CCOC(=O)C(=C)C)C1
InChIInChI=1S/C21H33N3O6/c1-16(2)19(25)28-10-7-22-13-23(8-11-29-20(26)17(3)4)15-24(14-22)9-12-30-21(27)18(5)6/h1,3,5,7-15H2,2,4,6H3
InChIKeyZLBMMLSOPAHLSR-UHFFFAOYSA-N
MW423.51 g/mol
LogP1.14
Rot. Bonds12

About 2-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 2-methylprop-2-enoate

2-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 2-methylprop-2-enoate (PubChem CID 18314417) has the molecular formula C21H33N3O6 and a molecular weight of 423.51 g/mol. Its IUPAC name is 2-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 2-methylprop-2-enoate
PubChem CID18314417
Molecular FormulaC21H33N3O6
Molecular Weight423.51 g/mol
Exact Mass423.24
IUPAC Name2-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN1CN(CCOC(=O)C(=C)C)CN(CCOC(=O)C(=C)C)C1
InChIInChI=1S/C21H33N3O6/c1-16(2)19(25)28-10-7-22-13-23(8-11-29-20(26)17(3)4)15-24(14-22)9-12-30-21(27)18(5)6/h1,3,5,7-15H2,2,4,6H3
InChIKeyZLBMMLSOPAHLSR-UHFFFAOYSA-N
XLogP1.14
TPSA88.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate
CID 139415965
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
CID 162067648
2-aminoethyl 2-methylprop-2-enoate;methane
CID 158487497
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-dimethylarsanylethyl 2-methylprop-2-enoate
CID 87191612
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate
CID 58535870
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 2-methylprop-2-enoate (CID 18314417) is 2-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN1CN(CCOC(=O)C(=C)C)CN(CCOC(=O)C(=C)C)C1.
What is the InChIKey of 2-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 2-methylprop-2-enoate?
The InChIKey is ZLBMMLSOPAHLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O6/c1-16(2)19(25)28-10-7-22-13-23(8-11-29-20(26)17(3)4)15-24(14-22)9-12-30-21(27)18(5)6/h1,3,5,7-15H2,2,4,6H3.
What are the key properties of 2-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 2-methylprop-2-enoate?
2-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 2-methylprop-2-enoate has a molecular weight of 423.51 g/mol, XLogP of 1.14, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 18314417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).