bis(2-methylpropyl) 1,2,2,2-tetrachloroethyl phosphate

C10H19Cl4O4P — CID 3030000

IUPACbis(2-methylpropyl) 1,2,2,2-tetrachloroethyl phosphate
SMILESCC(C)COP(=O)(OCC(C)C)OC(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C10H19Cl4O4P/c1-7(2)5-16-19(15,17-6-8(3)4)18-9(11)10(12,13)14/h7-9H,5-6H2,1-4H3
InChIKeyIEYSOGCVIJRUGT-UHFFFAOYSA-N
MW376.04 g/mol
LogP5.39
Rot. Bonds8

About bis(2-methylpropyl) 1,2,2,2-tetrachloroethyl phosphate

bis(2-methylpropyl) 1,2,2,2-tetrachloroethyl phosphate (PubChem CID 3030000) has the molecular formula C10H19Cl4O4P and a molecular weight of 376.04 g/mol. Its IUPAC name is bis(2-methylpropyl) 1,2,2,2-tetrachloroethyl phosphate.

Molecular Properties

Compound Namebis(2-methylpropyl) 1,2,2,2-tetrachloroethyl phosphate
PubChem CID3030000
Molecular FormulaC10H19Cl4O4P
Molecular Weight376.04 g/mol
Exact Mass373.98
IUPAC Namebis(2-methylpropyl) 1,2,2,2-tetrachloroethyl phosphate
SMILESCC(C)COP(=O)(OCC(C)C)OC(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C10H19Cl4O4P/c1-7(2)5-16-19(15,17-6-8(3)4)18-9(11)10(12,13)14/h7-9H,5-6H2,1-4H3
InChIKeyIEYSOGCVIJRUGT-UHFFFAOYSA-N
XLogP5.39
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.04
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(2-methylpropyl) 1,2,2,2-tetrachloroethyl phosphate 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-methylpropyl dipropan-2-yl phosphate
CID 10728615
bis(2-methylpropyl) (1,1,3-trichloro-2,2-dimethylpropyl) phosphate
CID 87778288
chloro methyl 2-methylpropyl phosphate
CID 118608255
tris[(2R)-2-chloropropyl] phosphate
CID 91865019
bis(2-methylpropyl) pentyl phosphate
CID 54560421
[1-[bis(2-methylpropoxy)phosphoryl]-2,2,2-trichloroethyl] acetate
CID 23280284
2-methylpropyl phosphate
CID 22629809
bis(2-bromopropyl) 2-chloropropyl phosphate
CID 71364134
1-[bis(2-methylpropoxy)phosphorylsulfanyl-(2-methylpropoxy)phosphoryl]oxy-2-methylpropane
CID 134977347
2-methyl-1-[2-methylpropyl(propan-2-yloxy)phosphoryl]oxypropane
CID 175524065
bis(2-chloropropyl) propyl phosphate
CID 142724190
3-hydroxyiminobutan-2-yl(2-methylpropoxy)phosphinic acid
CID 169084686

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl) 1,2,2,2-tetrachloroethyl phosphate?
The IUPAC name of bis(2-methylpropyl) 1,2,2,2-tetrachloroethyl phosphate (CID 3030000) is bis(2-methylpropyl) 1,2,2,2-tetrachloroethyl phosphate.
What is the SMILES notation for bis(2-methylpropyl) 1,2,2,2-tetrachloroethyl phosphate?
The canonical SMILES for bis(2-methylpropyl) 1,2,2,2-tetrachloroethyl phosphate is CC(C)COP(=O)(OCC(C)C)OC(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of bis(2-methylpropyl) 1,2,2,2-tetrachloroethyl phosphate?
The InChIKey is IEYSOGCVIJRUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Cl4O4P/c1-7(2)5-16-19(15,17-6-8(3)4)18-9(11)10(12,13)14/h7-9H,5-6H2,1-4H3.
What are the key properties of bis(2-methylpropyl) 1,2,2,2-tetrachloroethyl phosphate?
bis(2-methylpropyl) 1,2,2,2-tetrachloroethyl phosphate has a molecular weight of 376.04 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl) 1,2,2,2-tetrachloroethyl phosphate is sourced from PubChem (CID 3030000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).