3,4,6-trimethoxy-6a-(1-methoxybutyl)-1,3a-dimethylimidazo[4,5-d]imidazole-2,5-dione

C14H26N4O6 — CID 70211539

IUPAC3,4,6-trimethoxy-6a-(1-methoxybutyl)-1,3a-dimethylimidazo[4,5-d]imidazole-2,5-dione
SMILESCCCC(OC)C12N(C)C(=O)N(OC)C1(C)N(OC)C(=O)N2OC
InChIInChI=1S/C14H26N4O6/c1-8-9-10(21-4)14-13(2,16(22-5)11(19)15(14)3)17(23-6)12(20)18(14)24-7/h10H,8-9H2,1-7H3
InChIKeyGOSXXQQWEXZRKU-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.00
Rot. Bonds7

About 3,4,6-trimethoxy-6a-(1-methoxybutyl)-1,3a-dimethylimidazo[4,5-d]imidazole-2,5-dione

3,4,6-trimethoxy-6a-(1-methoxybutyl)-1,3a-dimethylimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 70211539) has the molecular formula C14H26N4O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is 3,4,6-trimethoxy-6a-(1-methoxybutyl)-1,3a-dimethylimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name3,4,6-trimethoxy-6a-(1-methoxybutyl)-1,3a-dimethylimidazo[4,5-d]imidazole-2,5-dione
PubChem CID70211539
Molecular FormulaC14H26N4O6
Molecular Weight346.38 g/mol
Exact Mass346.19
IUPAC Name3,4,6-trimethoxy-6a-(1-methoxybutyl)-1,3a-dimethylimidazo[4,5-d]imidazole-2,5-dione
SMILESCCCC(OC)C12N(C)C(=O)N(OC)C1(C)N(OC)C(=O)N2OC
InChIInChI=1S/C14H26N4O6/c1-8-9-10(21-4)14-13(2,16(22-5)11(19)15(14)3)17(23-6)12(20)18(14)24-7/h10H,8-9H2,1-7H3
InChIKeyGOSXXQQWEXZRKU-UHFFFAOYSA-N
XLogP1.00
TPSA84.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethoxy-6a-(1-methoxybutyl)-1,3a-dimethylimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 3,4,6-trimethoxy-6a-(1-methoxybutyl)-1,3a-dimethylimidazo[4,5-d]imidazole-2,5-dione (CID 70211539) is 3,4,6-trimethoxy-6a-(1-methoxybutyl)-1,3a-dimethylimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 3,4,6-trimethoxy-6a-(1-methoxybutyl)-1,3a-dimethylimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 3,4,6-trimethoxy-6a-(1-methoxybutyl)-1,3a-dimethylimidazo[4,5-d]imidazole-2,5-dione is CCCC(OC)C12N(C)C(=O)N(OC)C1(C)N(OC)C(=O)N2OC.
What is the InChIKey of 3,4,6-trimethoxy-6a-(1-methoxybutyl)-1,3a-dimethylimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is GOSXXQQWEXZRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O6/c1-8-9-10(21-4)14-13(2,16(22-5)11(19)15(14)3)17(23-6)12(20)18(14)24-7/h10H,8-9H2,1-7H3.
What are the key properties of 3,4,6-trimethoxy-6a-(1-methoxybutyl)-1,3a-dimethylimidazo[4,5-d]imidazole-2,5-dione?
3,4,6-trimethoxy-6a-(1-methoxybutyl)-1,3a-dimethylimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 346.38 g/mol, XLogP of 1.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethoxy-6a-(1-methoxybutyl)-1,3a-dimethylimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 70211539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).