[3-hydroxy-6-(2-methylprop-2-enoyloxy)-4-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl] 2-methylprop-2-enoate

C23H31N3O10 — CID 19802949

IUPAC[3-hydroxy-6-(2-methylprop-2-enoyloxy)-4-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(O)C(CCOC(=O)C(=C)C)(CCOC(=O)C(=C)C)n1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C23H31N3O10/c1-13(2)17(28)34-10-7-16(27)23(8-11-35-18(29)14(3)4,9-12-36-19(30)15(5)6)26-21(32)24-20(31)25-22(26)33/h16,27H,1,3,5,7-12H2,2,4,6H3,(H2,24,25,31,32,33)
InChIKeyDXJRPDUJPPDWBF-UHFFFAOYSA-N
MW509.51 g/mol
LogP-0.19
Rot. Bonds14

About [3-hydroxy-6-(2-methylprop-2-enoyloxy)-4-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl] 2-methylprop-2-enoate

[3-hydroxy-6-(2-methylprop-2-enoyloxy)-4-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl] 2-methylprop-2-enoate (PubChem CID 19802949) has the molecular formula C23H31N3O10 and a molecular weight of 509.51 g/mol. Its IUPAC name is [3-hydroxy-6-(2-methylprop-2-enoyloxy)-4-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-hydroxy-6-(2-methylprop-2-enoyloxy)-4-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl] 2-methylprop-2-enoate
PubChem CID19802949
Molecular FormulaC23H31N3O10
Molecular Weight509.51 g/mol
Exact Mass509.20
IUPAC Name[3-hydroxy-6-(2-methylprop-2-enoyloxy)-4-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(O)C(CCOC(=O)C(=C)C)(CCOC(=O)C(=C)C)n1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C23H31N3O10/c1-13(2)17(28)34-10-7-16(27)23(8-11-35-18(29)14(3)4,9-12-36-19(30)15(5)6)26-21(32)24-20(31)25-22(26)33/h16,27H,1,3,5,7-12H2,2,4,6H3,(H2,24,25,31,32,33)
InChIKeyDXJRPDUJPPDWBF-UHFFFAOYSA-N
XLogP-0.19
TPSA186.85 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.51
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze [3-hydroxy-6-(2-methylprop-2-enoyloxy)-4-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl] 2-methylprop-2-enoate with MolForge

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Related Compounds

[3-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428981
[2-hydroxy-4-(2-methylprop-2-enoyloxy)butyl]-trimethylazanium bromide
CID 140876303
[3-hydroxy-3-methyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 122518361
1-(2,4,6-trioxo-1,3,5-triazinan-1-yl)ethyl 2-methylprop-2-enoate
CID 174497886
[3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 87650049
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol
CID 174925229
3,3-dimethylpentyl 2-methylprop-2-enoate
CID 20670454
2-(1-hydroxybutoxy)ethyl 2-methylprop-2-enoate
CID 166763428
2,2-bis[2-(2-methylprop-2-enoyloxy)ethyl]butanedioic acid
CID 87354014
3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 22641153
(3-methoxysilyl-4-methyl-3-propan-2-ylpentyl) 2-methylprop-2-enoate
CID 154093182

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-6-(2-methylprop-2-enoyloxy)-4-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl] 2-methylprop-2-enoate?
The IUPAC name of [3-hydroxy-6-(2-methylprop-2-enoyloxy)-4-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl] 2-methylprop-2-enoate (CID 19802949) is [3-hydroxy-6-(2-methylprop-2-enoyloxy)-4-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-hydroxy-6-(2-methylprop-2-enoyloxy)-4-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-hydroxy-6-(2-methylprop-2-enoyloxy)-4-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(O)C(CCOC(=O)C(=C)C)(CCOC(=O)C(=C)C)n1c(=O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of [3-hydroxy-6-(2-methylprop-2-enoyloxy)-4-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl] 2-methylprop-2-enoate?
The InChIKey is DXJRPDUJPPDWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O10/c1-13(2)17(28)34-10-7-16(27)23(8-11-35-18(29)14(3)4,9-12-36-19(30)15(5)6)26-21(32)24-20(31)25-22(26)33/h16,27H,1,3,5,7-12H2,2,4,6H3,(H2,24,25,31,32,33).
What are the key properties of [3-hydroxy-6-(2-methylprop-2-enoyloxy)-4-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl] 2-methylprop-2-enoate?
[3-hydroxy-6-(2-methylprop-2-enoyloxy)-4-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl] 2-methylprop-2-enoate has a molecular weight of 509.51 g/mol, XLogP of -0.19, 14 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-6-(2-methylprop-2-enoyloxy)-4-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 19802949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).