3,8-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione

C7H2Br2O4 — CID 10018235

IUPAC3,8-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione
SMILESO=C1OC2(C=C1Br)C=C(Br)C(=O)O2
InChIInChI=1S/C7H2Br2O4/c8-3-1-7(12-5(3)10)2-4(9)6(11)13-7/h1-2H
InChIKeyZLDVTHLUDVPBSB-UHFFFAOYSA-N
MW309.90 g/mol
LogP1.35
Rot. Bonds

About 3,8-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione

3,8-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione (PubChem CID 10018235) has the molecular formula C7H2Br2O4 and a molecular weight of 309.90 g/mol. Its IUPAC name is 3,8-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione.

Molecular Properties

Compound Name3,8-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione
PubChem CID10018235
Molecular FormulaC7H2Br2O4
Molecular Weight309.90 g/mol
Exact Mass307.83
IUPAC Name3,8-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione
SMILESO=C1OC2(C=C1Br)C=C(Br)C(=O)O2
InChIInChI=1S/C7H2Br2O4/c8-3-1-7(12-5(3)10)2-4(9)6(11)13-7/h1-2H
InChIKeyZLDVTHLUDVPBSB-UHFFFAOYSA-N
XLogP1.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.90
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,8-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione?
The IUPAC name of 3,8-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione (CID 10018235) is 3,8-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione.
What is the SMILES notation for 3,8-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione?
The canonical SMILES for 3,8-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione is O=C1OC2(C=C1Br)C=C(Br)C(=O)O2.
What is the InChIKey of 3,8-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione?
The InChIKey is ZLDVTHLUDVPBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Br2O4/c8-3-1-7(12-5(3)10)2-4(9)6(11)13-7/h1-2H.
What are the key properties of 3,8-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione?
3,8-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione has a molecular weight of 309.90 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione is sourced from PubChem (CID 10018235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).