2-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate

C9H15O6P — CID 88502358

IUPAC2-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate
SMILESC=CCOP(=O)(O)OCCOC(=O)C(=C)C
InChIInChI=1S/C9H15O6P/c1-4-5-14-16(11,12)15-7-6-13-9(10)8(2)3/h4H,1-2,5-7H2,3H3,(H,11,12)
InChIKeyFEJLDONKHXYZIC-UHFFFAOYSA-N
MW250.19 g/mol
LogP1.43
Rot. Bonds8

About 2-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate

2-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate (PubChem CID 88502358) has the molecular formula C9H15O6P and a molecular weight of 250.19 g/mol. Its IUPAC name is 2-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate
PubChem CID88502358
Molecular FormulaC9H15O6P
Molecular Weight250.19 g/mol
Exact Mass250.06
IUPAC Name2-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate
SMILESC=CCOP(=O)(O)OCCOC(=O)C(=C)C
InChIInChI=1S/C9H15O6P/c1-4-5-14-16(11,12)15-7-6-13-9(10)8(2)3/h4H,1-2,5-7H2,3H3,(H,11,12)
InChIKeyFEJLDONKHXYZIC-UHFFFAOYSA-N
XLogP1.43
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate 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-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethylazanium
CID 143475819
2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate
CID 87608005
2-dimethylphosphoryloxyethyl 2-methylprop-2-enoate
CID 54281312
2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethyl-methyliodanuidylazanium
CID 177020326
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986
2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate
CID 13363024
2-prop-2-enoxycarbonyloxyethyl 2-methylprop-2-enoate
CID 88775356
triethyl-[4-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxybutyl]azanium
CID 87833257
dihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate
CID 175310560
dilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate
CID 122611995

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate (CID 88502358) is 2-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate is C=CCOP(=O)(O)OCCOC(=O)C(=C)C.
What is the InChIKey of 2-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate?
The InChIKey is FEJLDONKHXYZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O6P/c1-4-5-14-16(11,12)15-7-6-13-9(10)8(2)3/h4H,1-2,5-7H2,3H3,(H,11,12).
What are the key properties of 2-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate?
2-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate has a molecular weight of 250.19 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 88502358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).