bromo-di(propan-2-yloxy)phosphane

C6H14BrO2P — CID 13223651

IUPACbromo-di(propan-2-yloxy)phosphane
SMILESCC(C)OP(Br)OC(C)C
InChIInChI=1S/C6H14BrO2P/c1-5(2)8-10(7)9-6(3)4/h5-6H,1-4H3
InChIKeyAEYXNSCGVHLAIH-UHFFFAOYSA-N
MW229.05 g/mol
LogP3.46
Rot. Bonds4

About bromo-di(propan-2-yloxy)phosphane

bromo-di(propan-2-yloxy)phosphane (PubChem CID 13223651) has the molecular formula C6H14BrO2P and a molecular weight of 229.05 g/mol. Its IUPAC name is bromo-di(propan-2-yloxy)phosphane.

Molecular Properties

Compound Namebromo-di(propan-2-yloxy)phosphane
PubChem CID13223651
Molecular FormulaC6H14BrO2P
Molecular Weight229.05 g/mol
Exact Mass227.99
IUPAC Namebromo-di(propan-2-yloxy)phosphane
SMILESCC(C)OP(Br)OC(C)C
InChIInChI=1S/C6H14BrO2P/c1-5(2)8-10(7)9-6(3)4/h5-6H,1-4H3
InChIKeyAEYXNSCGVHLAIH-UHFFFAOYSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.05
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bromo-di(propan-2-yloxy)phosphane 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 bromo-di(propan-2-yloxy)phosphane?
The IUPAC name of bromo-di(propan-2-yloxy)phosphane (CID 13223651) is bromo-di(propan-2-yloxy)phosphane.
What is the SMILES notation for bromo-di(propan-2-yloxy)phosphane?
The canonical SMILES for bromo-di(propan-2-yloxy)phosphane is CC(C)OP(Br)OC(C)C.
What is the InChIKey of bromo-di(propan-2-yloxy)phosphane?
The InChIKey is AEYXNSCGVHLAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BrO2P/c1-5(2)8-10(7)9-6(3)4/h5-6H,1-4H3.
What are the key properties of bromo-di(propan-2-yloxy)phosphane?
bromo-di(propan-2-yloxy)phosphane has a molecular weight of 229.05 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-di(propan-2-yloxy)phosphane is sourced from PubChem (CID 13223651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).