methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione

C14H29N3O6 — CID 159573699

IUPACmethane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESC.C.COCCn1c(=O)n(CCOC)c(=O)n(CCOC)c1=O
InChIInChI=1S/C12H21N3O6.2CH4/c1-19-7-4-13-10(16)14(5-8-20-2)12(18)15(11(13)17)6-9-21-3;;/h4-9H2,1-3H3;2*1H4
InChIKeyMIDDXIQDJQFMDB-UHFFFAOYSA-N
MW335.40 g/mol
LogP-0.62
Rot. Bonds9

About methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione

methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 159573699) has the molecular formula C14H29N3O6 and a molecular weight of 335.40 g/mol. Its IUPAC name is methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Namemethane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID159573699
Molecular FormulaC14H29N3O6
Molecular Weight335.40 g/mol
Exact Mass335.21
IUPAC Namemethane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESC.C.COCCn1c(=O)n(CCOC)c(=O)n(CCOC)c1=O
InChIInChI=1S/C12H21N3O6.2CH4/c1-19-7-4-13-10(16)14(5-8-20-2)12(18)15(11(13)17)6-9-21-3;;/h4-9H2,1-3H3;2*1H4
InChIKeyMIDDXIQDJQFMDB-UHFFFAOYSA-N
XLogP-0.62
TPSA93.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione (CID 159573699) is methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione is C.C.COCCn1c(=O)n(CCOC)c(=O)n(CCOC)c1=O.
What is the InChIKey of methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is MIDDXIQDJQFMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O6.2CH4/c1-19-7-4-13-10(16)14(5-8-20-2)12(18)15(11(13)17)6-9-21-3;;/h4-9H2,1-3H3;2*1H4.
What are the key properties of methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?
methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 335.40 g/mol, XLogP of -0.62, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 159573699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).