1,3,5,7-tetrakis(methoxymethyl)-4-methyl-1,3,5,7-tetrazocane-2,6-dione

C13H26N4O6 — CID 166592299

IUPAC1,3,5,7-tetrakis(methoxymethyl)-4-methyl-1,3,5,7-tetrazocane-2,6-dione
SMILESCOCN1CN(COC)C(=O)N(COC)C(C)N(COC)C1=O
InChIInChI=1S/C13H26N4O6/c1-11-16(9-22-4)12(18)14(7-20-2)6-15(8-21-3)13(19)17(11)10-23-5/h11H,6-10H2,1-5H3
InChIKeyYMVCXEWZCZCFEY-UHFFFAOYSA-N
MW334.37 g/mol
LogP0.17
Rot. Bonds8

About 1,3,5,7-tetrakis(methoxymethyl)-4-methyl-1,3,5,7-tetrazocane-2,6-dione

1,3,5,7-tetrakis(methoxymethyl)-4-methyl-1,3,5,7-tetrazocane-2,6-dione (PubChem CID 166592299) has the molecular formula C13H26N4O6 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1,3,5,7-tetrakis(methoxymethyl)-4-methyl-1,3,5,7-tetrazocane-2,6-dione.

Molecular Properties

Compound Name1,3,5,7-tetrakis(methoxymethyl)-4-methyl-1,3,5,7-tetrazocane-2,6-dione
PubChem CID166592299
Molecular FormulaC13H26N4O6
Molecular Weight334.37 g/mol
Exact Mass334.19
IUPAC Name1,3,5,7-tetrakis(methoxymethyl)-4-methyl-1,3,5,7-tetrazocane-2,6-dione
SMILESCOCN1CN(COC)C(=O)N(COC)C(C)N(COC)C1=O
InChIInChI=1S/C13H26N4O6/c1-11-16(9-22-4)12(18)14(7-20-2)6-15(8-21-3)13(19)17(11)10-23-5/h11H,6-10H2,1-5H3
InChIKeyYMVCXEWZCZCFEY-UHFFFAOYSA-N
XLogP0.17
TPSA84.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetrakis(methoxymethyl)-4-methyl-1,3,5,7-tetrazocane-2,6-dione?
The IUPAC name of 1,3,5,7-tetrakis(methoxymethyl)-4-methyl-1,3,5,7-tetrazocane-2,6-dione (CID 166592299) is 1,3,5,7-tetrakis(methoxymethyl)-4-methyl-1,3,5,7-tetrazocane-2,6-dione.
What is the SMILES notation for 1,3,5,7-tetrakis(methoxymethyl)-4-methyl-1,3,5,7-tetrazocane-2,6-dione?
The canonical SMILES for 1,3,5,7-tetrakis(methoxymethyl)-4-methyl-1,3,5,7-tetrazocane-2,6-dione is COCN1CN(COC)C(=O)N(COC)C(C)N(COC)C1=O.
What is the InChIKey of 1,3,5,7-tetrakis(methoxymethyl)-4-methyl-1,3,5,7-tetrazocane-2,6-dione?
The InChIKey is YMVCXEWZCZCFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O6/c1-11-16(9-22-4)12(18)14(7-20-2)6-15(8-21-3)13(19)17(11)10-23-5/h11H,6-10H2,1-5H3.
What are the key properties of 1,3,5,7-tetrakis(methoxymethyl)-4-methyl-1,3,5,7-tetrazocane-2,6-dione?
1,3,5,7-tetrakis(methoxymethyl)-4-methyl-1,3,5,7-tetrazocane-2,6-dione has a molecular weight of 334.37 g/mol, XLogP of 0.17, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetrakis(methoxymethyl)-4-methyl-1,3,5,7-tetrazocane-2,6-dione is sourced from PubChem (CID 166592299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).