chloro methyl 2-methylpropyl phosphate

C5H12ClO4P — CID 118608255

IUPACchloro methyl 2-methylpropyl phosphate
SMILESCOP(=O)(OCl)OCC(C)C
InChIInChI=1S/C5H12ClO4P/c1-5(2)4-9-11(7,8-3)10-6/h5H,4H2,1-3H3
InChIKeyPMNXCWMUWYYMMQ-UHFFFAOYSA-N
MW202.57 g/mol
LogP2.58
Rot. Bonds5

About chloro methyl 2-methylpropyl phosphate

chloro methyl 2-methylpropyl phosphate (PubChem CID 118608255) has the molecular formula C5H12ClO4P and a molecular weight of 202.57 g/mol. Its IUPAC name is chloro methyl 2-methylpropyl phosphate.

Molecular Properties

Compound Namechloro methyl 2-methylpropyl phosphate
PubChem CID118608255
Molecular FormulaC5H12ClO4P
Molecular Weight202.57 g/mol
Exact Mass202.02
IUPAC Namechloro methyl 2-methylpropyl phosphate
SMILESCOP(=O)(OCl)OCC(C)C
InChIInChI=1S/C5H12ClO4P/c1-5(2)4-9-11(7,8-3)10-6/h5H,4H2,1-3H3
InChIKeyPMNXCWMUWYYMMQ-UHFFFAOYSA-N
XLogP2.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.57
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze chloro methyl 2-methylpropyl 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) 1,2,2,2-tetrachloroethyl phosphate
CID 3030000
2-methylpropyl phosphate
CID 22629809
tris[(2R)-2-chloropropyl] phosphate
CID 91865019
bis(3-chloro-2-hydroxypropyl) methyl phosphate
CID 167583670
bis(2-methylpropyl) pentyl phosphate
CID 54560421
1-[bis(2-methylpropoxy)phosphorylsulfanyl-(2-methylpropoxy)phosphoryl]oxy-2-methylpropane
CID 134977347
tris(2-methoxypropyl) phosphate
CID 88697262
bis(2-methylpropyl) (1,1,3-trichloro-2,2-dimethylpropyl) phosphate
CID 87778288
1-[2-methoxyethoxy(methyl)phosphoryl]oxy-2-methylpropane
CID 170850888
chloromethyl dimethyl phosphate
CID 88544336
(4-methoxy-3-methylbutyl) dimethyl phosphate
CID 134463907

Frequently Asked Questions

What is the IUPAC name of chloro methyl 2-methylpropyl phosphate?
The IUPAC name of chloro methyl 2-methylpropyl phosphate (CID 118608255) is chloro methyl 2-methylpropyl phosphate.
What is the SMILES notation for chloro methyl 2-methylpropyl phosphate?
The canonical SMILES for chloro methyl 2-methylpropyl phosphate is COP(=O)(OCl)OCC(C)C.
What is the InChIKey of chloro methyl 2-methylpropyl phosphate?
The InChIKey is PMNXCWMUWYYMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClO4P/c1-5(2)4-9-11(7,8-3)10-6/h5H,4H2,1-3H3.
What are the key properties of chloro methyl 2-methylpropyl phosphate?
chloro methyl 2-methylpropyl phosphate has a molecular weight of 202.57 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro methyl 2-methylpropyl phosphate is sourced from PubChem (CID 118608255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).