3,9-bis(2-bromophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane

C19H18Br2O4 — CID 1269063

IUPAC3,9-bis(2-bromophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
SMILESBrc1ccccc1C1OCC2(CO1)COC(c1ccccc1Br)OC2
InChIInChI=1S/C19H18Br2O4/c20-15-7-3-1-5-13(15)17-22-9-19(10-23-17)11-24-18(25-12-19)14-6-2-4-8-16(14)21/h1-8,17-18H,9-12H2
InChIKeyUTYXBNXEHOFOCX-UHFFFAOYSA-N
MW470.16 g/mol
LogP4.99
Rot. Bonds2

About 3,9-bis(2-bromophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane

3,9-bis(2-bromophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane (PubChem CID 1269063) has the molecular formula C19H18Br2O4 and a molecular weight of 470.16 g/mol. Its IUPAC name is 3,9-bis(2-bromophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-bis(2-bromophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
PubChem CID1269063
Molecular FormulaC19H18Br2O4
Molecular Weight470.16 g/mol
Exact Mass467.96
IUPAC Name3,9-bis(2-bromophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
SMILESBrc1ccccc1C1OCC2(CO1)COC(c1ccccc1Br)OC2
InChIInChI=1S/C19H18Br2O4/c20-15-7-3-1-5-13(15)17-22-9-19(10-23-17)11-24-18(25-12-19)14-6-2-4-8-16(14)21/h1-8,17-18H,9-12H2
InChIKeyUTYXBNXEHOFOCX-UHFFFAOYSA-N
XLogP4.99
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.16
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,9-bis(2-bromophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane 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 3,9-bis(2-bromophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane?
The IUPAC name of 3,9-bis(2-bromophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane (CID 1269063) is 3,9-bis(2-bromophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane.
What is the SMILES notation for 3,9-bis(2-bromophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane?
The canonical SMILES for 3,9-bis(2-bromophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane is Brc1ccccc1C1OCC2(CO1)COC(c1ccccc1Br)OC2.
What is the InChIKey of 3,9-bis(2-bromophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane?
The InChIKey is UTYXBNXEHOFOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Br2O4/c20-15-7-3-1-5-13(15)17-22-9-19(10-23-17)11-24-18(25-12-19)14-6-2-4-8-16(14)21/h1-8,17-18H,9-12H2.
What are the key properties of 3,9-bis(2-bromophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane?
3,9-bis(2-bromophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane has a molecular weight of 470.16 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis(2-bromophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane is sourced from PubChem (CID 1269063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).