1,3,5,7-tetrakis(methoxymethyl)-4-methyl-8-propyl-1,3,5,7-tetrazocane-2,6-dione

C16H32N4O6 — CID 18458014

IUPAC1,3,5,7-tetrakis(methoxymethyl)-4-methyl-8-propyl-1,3,5,7-tetrazocane-2,6-dione
SMILESCCCC1N(COC)C(=O)N(COC)C(C)N(COC)C(=O)N1COC
InChIInChI=1S/C16H32N4O6/c1-7-8-14-19(11-25-5)15(21)17(9-23-3)13(2)18(10-24-4)16(22)20(14)12-26-6/h13-14H,7-12H2,1-6H3
InChIKeyZOWURMPZRCCJBV-UHFFFAOYSA-N
MW376.45 g/mol
LogP1.34
Rot. Bonds10

About 1,3,5,7-tetrakis(methoxymethyl)-4-methyl-8-propyl-1,3,5,7-tetrazocane-2,6-dione

1,3,5,7-tetrakis(methoxymethyl)-4-methyl-8-propyl-1,3,5,7-tetrazocane-2,6-dione (PubChem CID 18458014) has the molecular formula C16H32N4O6 and a molecular weight of 376.45 g/mol. Its IUPAC name is 1,3,5,7-tetrakis(methoxymethyl)-4-methyl-8-propyl-1,3,5,7-tetrazocane-2,6-dione.

Molecular Properties

Compound Name1,3,5,7-tetrakis(methoxymethyl)-4-methyl-8-propyl-1,3,5,7-tetrazocane-2,6-dione
PubChem CID18458014
Molecular FormulaC16H32N4O6
Molecular Weight376.45 g/mol
Exact Mass376.23
IUPAC Name1,3,5,7-tetrakis(methoxymethyl)-4-methyl-8-propyl-1,3,5,7-tetrazocane-2,6-dione
SMILESCCCC1N(COC)C(=O)N(COC)C(C)N(COC)C(=O)N1COC
InChIInChI=1S/C16H32N4O6/c1-7-8-14-19(11-25-5)15(21)17(9-23-3)13(2)18(10-24-4)16(22)20(14)12-26-6/h13-14H,7-12H2,1-6H3
InChIKeyZOWURMPZRCCJBV-UHFFFAOYSA-N
XLogP1.34
TPSA84.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5,7-Tetrakis(methoxymethyl)-4-methyl-1,3,5,7-tetrazocane-2,6-dione
CID 166592299

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetrakis(methoxymethyl)-4-methyl-8-propyl-1,3,5,7-tetrazocane-2,6-dione?
The IUPAC name of 1,3,5,7-tetrakis(methoxymethyl)-4-methyl-8-propyl-1,3,5,7-tetrazocane-2,6-dione (CID 18458014) is 1,3,5,7-tetrakis(methoxymethyl)-4-methyl-8-propyl-1,3,5,7-tetrazocane-2,6-dione.
What is the SMILES notation for 1,3,5,7-tetrakis(methoxymethyl)-4-methyl-8-propyl-1,3,5,7-tetrazocane-2,6-dione?
The canonical SMILES for 1,3,5,7-tetrakis(methoxymethyl)-4-methyl-8-propyl-1,3,5,7-tetrazocane-2,6-dione is CCCC1N(COC)C(=O)N(COC)C(C)N(COC)C(=O)N1COC.
What is the InChIKey of 1,3,5,7-tetrakis(methoxymethyl)-4-methyl-8-propyl-1,3,5,7-tetrazocane-2,6-dione?
The InChIKey is ZOWURMPZRCCJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O6/c1-7-8-14-19(11-25-5)15(21)17(9-23-3)13(2)18(10-24-4)16(22)20(14)12-26-6/h13-14H,7-12H2,1-6H3.
What are the key properties of 1,3,5,7-tetrakis(methoxymethyl)-4-methyl-8-propyl-1,3,5,7-tetrazocane-2,6-dione?
1,3,5,7-tetrakis(methoxymethyl)-4-methyl-8-propyl-1,3,5,7-tetrazocane-2,6-dione has a molecular weight of 376.45 g/mol, XLogP of 1.34, 10 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-8-propyl-1,3,5,7-tetrazocane-2,6-dione is sourced from PubChem (CID 18458014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).