1-(2-hydroxyethyl)-3,5-bis[2-(2-hydroxypropoxy)ethyl]-1,3,5-triazinane-2,4,6-trione

C15H27N3O8 — CID 170848494

IUPAC1-(2-hydroxyethyl)-3,5-bis[2-(2-hydroxypropoxy)ethyl]-1,3,5-triazinane-2,4,6-trione
SMILESCC(O)COCCn1c(=O)n(CCO)c(=O)n(CCOCC(C)O)c1=O
InChIInChI=1S/C15H27N3O8/c1-11(20)9-25-7-4-17-13(22)16(3-6-19)14(23)18(15(17)24)5-8-26-10-12(2)21/h11-12,19-21H,3-10H2,1-2H3
InChIKeyMHBXYDXKWXLLAI-UHFFFAOYSA-N
MW377.39 g/mol
LogP-3.04
Rot. Bonds12

About 1-(2-hydroxyethyl)-3,5-bis[2-(2-hydroxypropoxy)ethyl]-1,3,5-triazinane-2,4,6-trione

1-(2-hydroxyethyl)-3,5-bis[2-(2-hydroxypropoxy)ethyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 170848494) has the molecular formula C15H27N3O8 and a molecular weight of 377.39 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3,5-bis[2-(2-hydroxypropoxy)ethyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3,5-bis[2-(2-hydroxypropoxy)ethyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID170848494
Molecular FormulaC15H27N3O8
Molecular Weight377.39 g/mol
Exact Mass377.18
IUPAC Name1-(2-hydroxyethyl)-3,5-bis[2-(2-hydroxypropoxy)ethyl]-1,3,5-triazinane-2,4,6-trione
SMILESCC(O)COCCn1c(=O)n(CCO)c(=O)n(CCOCC(C)O)c1=O
InChIInChI=1S/C15H27N3O8/c1-11(20)9-25-7-4-17-13(22)16(3-6-19)14(23)18(15(17)24)5-8-26-10-12(2)21/h11-12,19-21H,3-10H2,1-2H3
InChIKeyMHBXYDXKWXLLAI-UHFFFAOYSA-N
XLogP-3.04
TPSA145.15 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.39
LogP ≤ 5-3.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3,5-bis[2-(2-hydroxypropoxy)ethyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(2-hydroxyethyl)-3,5-bis[2-(2-hydroxypropoxy)ethyl]-1,3,5-triazinane-2,4,6-trione (CID 170848494) is 1-(2-hydroxyethyl)-3,5-bis[2-(2-hydroxypropoxy)ethyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3,5-bis[2-(2-hydroxypropoxy)ethyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(2-hydroxyethyl)-3,5-bis[2-(2-hydroxypropoxy)ethyl]-1,3,5-triazinane-2,4,6-trione is CC(O)COCCn1c(=O)n(CCO)c(=O)n(CCOCC(C)O)c1=O.
What is the InChIKey of 1-(2-hydroxyethyl)-3,5-bis[2-(2-hydroxypropoxy)ethyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is MHBXYDXKWXLLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O8/c1-11(20)9-25-7-4-17-13(22)16(3-6-19)14(23)18(15(17)24)5-8-26-10-12(2)21/h11-12,19-21H,3-10H2,1-2H3.
What are the key properties of 1-(2-hydroxyethyl)-3,5-bis[2-(2-hydroxypropoxy)ethyl]-1,3,5-triazinane-2,4,6-trione?
1-(2-hydroxyethyl)-3,5-bis[2-(2-hydroxypropoxy)ethyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 377.39 g/mol, XLogP of -3.04, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3,5-bis[2-(2-hydroxypropoxy)ethyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 170848494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).