(3Z,7Z)-4,8-dimethyl-1,5-dioxocine-2,6-dione

C8H8O4 — CID 165356449

IUPAC(3Z,7Z)-4,8-dimethyl-1,5-dioxocine-2,6-dione
SMILESC/C1=C/C(=O)O/C(C)=C\C(=O)O1
InChIInChI=1S/C8H8O4/c1-5-3-7(9)12-6(2)4-8(10)11-5/h3-4H,1-2H3/b5-3-,6-4-
InChIKeyIRJYRSLJMWVIKX-GLIMQPGKSA-N
MW168.15 g/mol
LogP0.89
Rot. Bonds

About (3Z,7Z)-4,8-dimethyl-1,5-dioxocine-2,6-dione

(3Z,7Z)-4,8-dimethyl-1,5-dioxocine-2,6-dione (PubChem CID 165356449) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is (3Z,7Z)-4,8-dimethyl-1,5-dioxocine-2,6-dione.

Molecular Properties

Compound Name(3Z,7Z)-4,8-dimethyl-1,5-dioxocine-2,6-dione
PubChem CID165356449
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name(3Z,7Z)-4,8-dimethyl-1,5-dioxocine-2,6-dione
SMILESC/C1=C/C(=O)O/C(C)=C\C(=O)O1
InChIInChI=1S/C8H8O4/c1-5-3-7(9)12-6(2)4-8(10)11-5/h3-4H,1-2H3/b5-3-,6-4-
InChIKeyIRJYRSLJMWVIKX-GLIMQPGKSA-N
XLogP0.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-4,8-dimethyl-1,5-dioxocine-2,6-dione?
The IUPAC name of (3Z,7Z)-4,8-dimethyl-1,5-dioxocine-2,6-dione (CID 165356449) is (3Z,7Z)-4,8-dimethyl-1,5-dioxocine-2,6-dione.
What is the SMILES notation for (3Z,7Z)-4,8-dimethyl-1,5-dioxocine-2,6-dione?
The canonical SMILES for (3Z,7Z)-4,8-dimethyl-1,5-dioxocine-2,6-dione is C/C1=C/C(=O)O/C(C)=C\C(=O)O1.
What is the InChIKey of (3Z,7Z)-4,8-dimethyl-1,5-dioxocine-2,6-dione?
The InChIKey is IRJYRSLJMWVIKX-GLIMQPGKSA-N. The full InChI is InChI=1S/C8H8O4/c1-5-3-7(9)12-6(2)4-8(10)11-5/h3-4H,1-2H3/b5-3-,6-4-.
What are the key properties of (3Z,7Z)-4,8-dimethyl-1,5-dioxocine-2,6-dione?
(3Z,7Z)-4,8-dimethyl-1,5-dioxocine-2,6-dione has a molecular weight of 168.15 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-4,8-dimethyl-1,5-dioxocine-2,6-dione is sourced from PubChem (CID 165356449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).