4,4,5,10,10,11-hexamethyl-2,8-dioxa-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodecane-6,12-dione

C12H20N4O4 — CID 12664496

IUPAC4,4,5,10,10,11-hexamethyl-2,8-dioxa-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodecane-6,12-dione
SMILESCN1C(=O)N2OC3N(OC2C1(C)C)C(=O)N(C)C3(C)C
InChIInChI=1S/C12H20N4O4/c1-11(2)7-15(9(17)13(11)5)20-8-12(3,4)14(6)10(18)16(8)19-7/h7-8H,1-6H3
InChIKeyFQMWNLDFCFCFHX-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.81
Rot. Bonds

About 4,4,5,10,10,11-hexamethyl-2,8-dioxa-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodecane-6,12-dione

4,4,5,10,10,11-hexamethyl-2,8-dioxa-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodecane-6,12-dione (PubChem CID 12664496) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4,4,5,10,10,11-hexamethyl-2,8-dioxa-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodecane-6,12-dione.

Molecular Properties

Compound Name4,4,5,10,10,11-hexamethyl-2,8-dioxa-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodecane-6,12-dione
PubChem CID12664496
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name4,4,5,10,10,11-hexamethyl-2,8-dioxa-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodecane-6,12-dione
SMILESCN1C(=O)N2OC3N(OC2C1(C)C)C(=O)N(C)C3(C)C
InChIInChI=1S/C12H20N4O4/c1-11(2)7-15(9(17)13(11)5)20-8-12(3,4)14(6)10(18)16(8)19-7/h7-8H,1-6H3
InChIKeyFQMWNLDFCFCFHX-UHFFFAOYSA-N
XLogP0.81
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,10,10,11-hexamethyl-2,8-dioxa-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodecane-6,12-dione?
The IUPAC name of 4,4,5,10,10,11-hexamethyl-2,8-dioxa-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodecane-6,12-dione (CID 12664496) is 4,4,5,10,10,11-hexamethyl-2,8-dioxa-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodecane-6,12-dione.
What is the SMILES notation for 4,4,5,10,10,11-hexamethyl-2,8-dioxa-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodecane-6,12-dione?
The canonical SMILES for 4,4,5,10,10,11-hexamethyl-2,8-dioxa-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodecane-6,12-dione is CN1C(=O)N2OC3N(OC2C1(C)C)C(=O)N(C)C3(C)C.
What is the InChIKey of 4,4,5,10,10,11-hexamethyl-2,8-dioxa-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodecane-6,12-dione?
The InChIKey is FQMWNLDFCFCFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-11(2)7-15(9(17)13(11)5)20-8-12(3,4)14(6)10(18)16(8)19-7/h7-8H,1-6H3.
What are the key properties of 4,4,5,10,10,11-hexamethyl-2,8-dioxa-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodecane-6,12-dione?
4,4,5,10,10,11-hexamethyl-2,8-dioxa-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodecane-6,12-dione has a molecular weight of 284.32 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,10,10,11-hexamethyl-2,8-dioxa-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodecane-6,12-dione is sourced from PubChem (CID 12664496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).