2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate

C6H9Cl2O4P — CID 13363024

IUPAC2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOP(=O)(Cl)Cl
InChIInChI=1S/C6H9Cl2O4P/c1-5(2)6(9)11-3-4-12-13(7,8)10/h1,3-4H2,2H3
InChIKeyVPKRDJUTURGWHP-UHFFFAOYSA-N
MW247.01 g/mol
LogP2.71
Rot. Bonds5

About 2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate

2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate (PubChem CID 13363024) has the molecular formula C6H9Cl2O4P and a molecular weight of 247.01 g/mol. Its IUPAC name is 2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate
PubChem CID13363024
Molecular FormulaC6H9Cl2O4P
Molecular Weight247.01 g/mol
Exact Mass245.96
IUPAC Name2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOP(=O)(Cl)Cl
InChIInChI=1S/C6H9Cl2O4P/c1-5(2)6(9)11-3-4-12-13(7,8)10/h1,3-4H2,2H3
InChIKeyVPKRDJUTURGWHP-UHFFFAOYSA-N
XLogP2.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.01
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-dimethylphosphoryloxyethyl 2-methylprop-2-enoate
CID 54281312
dilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate
CID 122611995
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
dihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate
CID 175310560
magnesium bis(bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] phosphate)
CID 122612579
2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate
CID 87608005
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
N-[hydroxy-bis[2-(2-methylprop-2-enoyloxy)ethoxy]-λ5-phosphanylidene]-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphonamidic acid
CID 101420429
sodium 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl hydrogen phosphate
CID 122613092

Frequently Asked Questions

What is the IUPAC name of 2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate (CID 13363024) is 2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOP(=O)(Cl)Cl.
What is the InChIKey of 2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate?
The InChIKey is VPKRDJUTURGWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl2O4P/c1-5(2)6(9)11-3-4-12-13(7,8)10/h1,3-4H2,2H3.
What are the key properties of 2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate?
2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate has a molecular weight of 247.01 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 13363024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).