4,9-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione

C7H2Br2O4 — CID 10041021

IUPAC4,9-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione
SMILESO=C1C=C(Br)C2(O1)OC(=O)C=C2Br
InChIInChI=1S/C7H2Br2O4/c8-3-1-5(10)12-7(3)4(9)2-6(11)13-7/h1-2H
InChIKeyFNADKHFCHQJBBP-UHFFFAOYSA-N
MW309.90 g/mol
LogP1.35
Rot. Bonds

About 4,9-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione

4,9-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione (PubChem CID 10041021) has the molecular formula C7H2Br2O4 and a molecular weight of 309.90 g/mol. Its IUPAC name is 4,9-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione.

Molecular Properties

Compound Name4,9-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione
PubChem CID10041021
Molecular FormulaC7H2Br2O4
Molecular Weight309.90 g/mol
Exact Mass307.83
IUPAC Name4,9-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione
SMILESO=C1C=C(Br)C2(O1)OC(=O)C=C2Br
InChIInChI=1S/C7H2Br2O4/c8-3-1-5(10)12-7(3)4(9)2-6(11)13-7/h1-2H
InChIKeyFNADKHFCHQJBBP-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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Related Compounds

4,5-Dibromo-5-methylfuran-2-one
CID 14708622
4-Bromo-5-(dibromomethyl)-5-hydroxyfuran-2-one
CID 21636744
4,5-Dibromo-5-(dibromomethyl)furan-2-one
CID 10273182
3,8-Dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione
CID 10018235
4,5-Dibromo-5-(bromomethyl)furan-2-one
CID 23240867

Frequently Asked Questions

What is the IUPAC name of 4,9-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione?
The IUPAC name of 4,9-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione (CID 10041021) is 4,9-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione.
What is the SMILES notation for 4,9-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione?
The canonical SMILES for 4,9-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione is O=C1C=C(Br)C2(O1)OC(=O)C=C2Br.
What is the InChIKey of 4,9-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione?
The InChIKey is FNADKHFCHQJBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Br2O4/c8-3-1-5(10)12-7(3)4(9)2-6(11)13-7/h1-2H.
What are the key properties of 4,9-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione?
4,9-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 4,9-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione is sourced from PubChem (CID 10041021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).