8-bromo-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane

C10H16BrO3P — CID 58084288

IUPAC8-bromo-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane
SMILESCC12CC3(C)OC(C)(CC(C)(O1)P3Br)O2
InChIInChI=1S/C10H16BrO3P/c1-7-5-9(3)14-8(2,12-7)6-10(4,13-7)15(9)11/h5-6H2,1-4H3
InChIKeyWMVHJMCFOTUXPP-UHFFFAOYSA-N
MW295.11 g/mol
LogP3.51
Rot. Bonds

About 8-bromo-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane

8-bromo-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane (PubChem CID 58084288) has the molecular formula C10H16BrO3P and a molecular weight of 295.11 g/mol. Its IUPAC name is 8-bromo-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name8-bromo-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane
PubChem CID58084288
Molecular FormulaC10H16BrO3P
Molecular Weight295.11 g/mol
Exact Mass294.00
IUPAC Name8-bromo-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane
SMILESCC12CC3(C)OC(C)(CC(C)(O1)P3Br)O2
InChIInChI=1S/C10H16BrO3P/c1-7-5-9(3)14-8(2,12-7)6-10(4,13-7)15(9)11/h5-6H2,1-4H3
InChIKeyWMVHJMCFOTUXPP-UHFFFAOYSA-N
XLogP3.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.11
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 8-bromo-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane 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 8-bromo-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane?
The IUPAC name of 8-bromo-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane (CID 58084288) is 8-bromo-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 8-bromo-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 8-bromo-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane is CC12CC3(C)OC(C)(CC(C)(O1)P3Br)O2.
What is the InChIKey of 8-bromo-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane?
The InChIKey is WMVHJMCFOTUXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrO3P/c1-7-5-9(3)14-8(2,12-7)6-10(4,13-7)15(9)11/h5-6H2,1-4H3.
What are the key properties of 8-bromo-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane?
8-bromo-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane has a molecular weight of 295.11 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 58084288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).