(5R,6R)-9-bromo-4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione

C10H7BrO4 — CID 131856115

IUPAC(5R,6R)-9-bromo-4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione
SMILESO=C1C=C[C@@]2(CC[C@@]23C=C(Br)C(=O)O3)O1
InChIInChI=1S/C10H7BrO4/c11-6-5-10(15-8(6)13)4-3-9(10)2-1-7(12)14-9/h1-2,5H,3-4H2/t9-,10+/m0/s1
InChIKeyQYDHPJAMDJAZAV-VHSXEESVSA-N
MW271.07 g/mol
LogP1.21
Rot. Bonds

About (5R,6R)-9-bromo-4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione

(5R,6R)-9-bromo-4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione (PubChem CID 131856115) has the molecular formula C10H7BrO4 and a molecular weight of 271.07 g/mol. Its IUPAC name is (5R,6R)-9-bromo-4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione.

Molecular Properties

Compound Name(5R,6R)-9-bromo-4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione
PubChem CID131856115
Molecular FormulaC10H7BrO4
Molecular Weight271.07 g/mol
Exact Mass269.95
IUPAC Name(5R,6R)-9-bromo-4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione
SMILESO=C1C=C[C@@]2(CC[C@@]23C=C(Br)C(=O)O3)O1
InChIInChI=1S/C10H7BrO4/c11-6-5-10(15-8(6)13)4-3-9(10)2-1-7(12)14-9/h1-2,5H,3-4H2/t9-,10+/m0/s1
InChIKeyQYDHPJAMDJAZAV-VHSXEESVSA-N
XLogP1.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R,6R)-9-bromo-4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-9-bromo-4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione?
The IUPAC name of (5R,6R)-9-bromo-4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione (CID 131856115) is (5R,6R)-9-bromo-4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione.
What is the SMILES notation for (5R,6R)-9-bromo-4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione?
The canonical SMILES for (5R,6R)-9-bromo-4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione is O=C1C=C[C@@]2(CC[C@@]23C=C(Br)C(=O)O3)O1.
What is the InChIKey of (5R,6R)-9-bromo-4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione?
The InChIKey is QYDHPJAMDJAZAV-VHSXEESVSA-N. The full InChI is InChI=1S/C10H7BrO4/c11-6-5-10(15-8(6)13)4-3-9(10)2-1-7(12)14-9/h1-2,5H,3-4H2/t9-,10+/m0/s1.
What are the key properties of (5R,6R)-9-bromo-4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione?
(5R,6R)-9-bromo-4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione has a molecular weight of 271.07 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-9-bromo-4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione is sourced from PubChem (CID 131856115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).