2-bromoethyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinic acid

C8H14BrO5P — CID 175167107

IUPAC2-bromoethyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinic acid
SMILESC=C(C)C(=O)OCCOP(=O)(O)CCBr
InChIInChI=1S/C8H14BrO5P/c1-7(2)8(10)13-4-5-14-15(11,12)6-3-9/h1,3-6H2,2H3,(H,11,12)
InChIKeyPMGGWSACMBDAIV-UHFFFAOYSA-N
MW301.07 g/mol
LogP1.70
Rot. Bonds7

About 2-bromoethyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinic acid

2-bromoethyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinic acid (PubChem CID 175167107) has the molecular formula C8H14BrO5P and a molecular weight of 301.07 g/mol. Its IUPAC name is 2-bromoethyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinic acid.

Molecular Properties

Compound Name2-bromoethyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinic acid
PubChem CID175167107
Molecular FormulaC8H14BrO5P
Molecular Weight301.07 g/mol
Exact Mass299.98
IUPAC Name2-bromoethyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinic acid
SMILESC=C(C)C(=O)OCCOP(=O)(O)CCBr
InChIInChI=1S/C8H14BrO5P/c1-7(2)8(10)13-4-5-14-15(11,12)6-3-9/h1,3-6H2,2H3,(H,11,12)
InChIKeyPMGGWSACMBDAIV-UHFFFAOYSA-N
XLogP1.70
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.07
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-bromoethyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-dimethylphosphoryloxyethyl 2-methylprop-2-enoate
CID 54281312
2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate
CID 13363024
dihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate
CID 175310560
methyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphinic acid
CID 130373144
dilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate
CID 122611995
2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate
CID 87608005
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
carbanylium;bis(methyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinate);dihydroxide
CID 160914633
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056
sodium 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl hydrogen phosphate
CID 122613092
2-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate
CID 88502358
N-[hydroxy-bis[2-(2-methylprop-2-enoyloxy)ethoxy]-λ5-phosphanylidene]-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphonamidic acid
CID 101420429

Frequently Asked Questions

What is the IUPAC name of 2-bromoethyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinic acid?
The IUPAC name of 2-bromoethyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinic acid (CID 175167107) is 2-bromoethyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinic acid.
What is the SMILES notation for 2-bromoethyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinic acid?
The canonical SMILES for 2-bromoethyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinic acid is C=C(C)C(=O)OCCOP(=O)(O)CCBr.
What is the InChIKey of 2-bromoethyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinic acid?
The InChIKey is PMGGWSACMBDAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrO5P/c1-7(2)8(10)13-4-5-14-15(11,12)6-3-9/h1,3-6H2,2H3,(H,11,12).
What are the key properties of 2-bromoethyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinic acid?
2-bromoethyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinic acid has a molecular weight of 301.07 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinic acid is sourced from PubChem (CID 175167107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).