12,12-dimethyl-1,2,10,14-tetraoxa-5,19-diazacyclotricosane-6,9,15,18-tetrone

C19H32N2O8 — CID 580963

IUPAC12,12-dimethyl-1,2,10,14-tetraoxa-5,19-diazacyclotricosane-6,9,15,18-tetrone
SMILESCC1(C)COC(=O)CCC(=O)NCCCCOOCCNC(=O)CCC(=O)OC1
InChIInChI=1S/C19H32N2O8/c1-19(2)13-26-17(24)7-5-15(22)20-9-3-4-11-28-29-12-10-21-16(23)6-8-18(25)27-14-19/h3-14H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyABLJCKBZJAATEC-UHFFFAOYSA-N
MW416.47 g/mol
LogP0.63
Rot. Bonds

About 12,12-dimethyl-1,2,10,14-tetraoxa-5,19-diazacyclotricosane-6,9,15,18-tetrone

12,12-dimethyl-1,2,10,14-tetraoxa-5,19-diazacyclotricosane-6,9,15,18-tetrone (PubChem CID 580963) has the molecular formula C19H32N2O8 and a molecular weight of 416.47 g/mol. Its IUPAC name is 12,12-dimethyl-1,2,10,14-tetraoxa-5,19-diazacyclotricosane-6,9,15,18-tetrone.

Molecular Properties

Compound Name12,12-dimethyl-1,2,10,14-tetraoxa-5,19-diazacyclotricosane-6,9,15,18-tetrone
PubChem CID580963
Molecular FormulaC19H32N2O8
Molecular Weight416.47 g/mol
Exact Mass416.22
IUPAC Name12,12-dimethyl-1,2,10,14-tetraoxa-5,19-diazacyclotricosane-6,9,15,18-tetrone
SMILESCC1(C)COC(=O)CCC(=O)NCCCCOOCCNC(=O)CCC(=O)OC1
InChIInChI=1S/C19H32N2O8/c1-19(2)13-26-17(24)7-5-15(22)20-9-3-4-11-28-29-12-10-21-16(23)6-8-18(25)27-14-19/h3-14H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyABLJCKBZJAATEC-UHFFFAOYSA-N
XLogP0.63
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-1,2,10,14-tetraoxa-5,19-diazacyclotricosane-6,9,15,18-tetrone?
The IUPAC name of 12,12-dimethyl-1,2,10,14-tetraoxa-5,19-diazacyclotricosane-6,9,15,18-tetrone (CID 580963) is 12,12-dimethyl-1,2,10,14-tetraoxa-5,19-diazacyclotricosane-6,9,15,18-tetrone.
What is the SMILES notation for 12,12-dimethyl-1,2,10,14-tetraoxa-5,19-diazacyclotricosane-6,9,15,18-tetrone?
The canonical SMILES for 12,12-dimethyl-1,2,10,14-tetraoxa-5,19-diazacyclotricosane-6,9,15,18-tetrone is CC1(C)COC(=O)CCC(=O)NCCCCOOCCNC(=O)CCC(=O)OC1.
What is the InChIKey of 12,12-dimethyl-1,2,10,14-tetraoxa-5,19-diazacyclotricosane-6,9,15,18-tetrone?
The InChIKey is ABLJCKBZJAATEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O8/c1-19(2)13-26-17(24)7-5-15(22)20-9-3-4-11-28-29-12-10-21-16(23)6-8-18(25)27-14-19/h3-14H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 12,12-dimethyl-1,2,10,14-tetraoxa-5,19-diazacyclotricosane-6,9,15,18-tetrone?
12,12-dimethyl-1,2,10,14-tetraoxa-5,19-diazacyclotricosane-6,9,15,18-tetrone has a molecular weight of 416.47 g/mol, XLogP of 0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-1,2,10,14-tetraoxa-5,19-diazacyclotricosane-6,9,15,18-tetrone is sourced from PubChem (CID 580963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).