8,16-dimethyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione

C12H16N4O4 — CID 145257006

IUPAC8,16-dimethyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
SMILESCN1C(=O)C2(CCC=NO2)N(C)C(=O)C12CCC=NO2
InChIInChI=1S/C12H16N4O4/c1-15-9(17)12(6-4-8-14-20-12)16(2)10(18)11(15)5-3-7-13-19-11/h7-8H,3-6H2,1-2H3
InChIKeyIEQRWSYBDIXDJC-UHFFFAOYSA-N
MW280.28 g/mol
LogP-0.10
Rot. Bonds

About 8,16-dimethyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione

8,16-dimethyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione (PubChem CID 145257006) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 8,16-dimethyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione.

Molecular Properties

Compound Name8,16-dimethyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
PubChem CID145257006
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name8,16-dimethyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
SMILESCN1C(=O)C2(CCC=NO2)N(C)C(=O)C12CCC=NO2
InChIInChI=1S/C12H16N4O4/c1-15-9(17)12(6-4-8-14-20-12)16(2)10(18)11(15)5-3-7-13-19-11/h7-8H,3-6H2,1-2H3
InChIKeyIEQRWSYBDIXDJC-UHFFFAOYSA-N
XLogP-0.10
TPSA83.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,14-Dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione;ethane
CID 145256988
5,14-Dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
CID 145256989
16-Methyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
CID 145257016
3-[8-(2-Carboxyethyl)-7,15-dioxo-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-dien-16-yl]propanoic acid
CID 145257029
8,16-Bis(prop-2-enyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
CID 145257030
8,16-Bis(3-hydroxypropyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
CID 145257031
16-Prop-2-ynyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
CID 145257036
(6R,9R)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
CID 145257044

Frequently Asked Questions

What is the IUPAC name of 8,16-dimethyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione?
The IUPAC name of 8,16-dimethyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione (CID 145257006) is 8,16-dimethyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione.
What is the SMILES notation for 8,16-dimethyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione?
The canonical SMILES for 8,16-dimethyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione is CN1C(=O)C2(CCC=NO2)N(C)C(=O)C12CCC=NO2.
What is the InChIKey of 8,16-dimethyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione?
The InChIKey is IEQRWSYBDIXDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-15-9(17)12(6-4-8-14-20-12)16(2)10(18)11(15)5-3-7-13-19-11/h7-8H,3-6H2,1-2H3.
What are the key properties of 8,16-dimethyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione?
8,16-dimethyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione has a molecular weight of 280.28 g/mol, XLogP of -0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,16-dimethyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione is sourced from PubChem (CID 145257006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).