ethenyl 2-(2-hydroxypropoxy)propyl hydrogen phosphate

C8H17O6P — CID 88836579

IUPACethenyl 2-(2-hydroxypropoxy)propyl hydrogen phosphate
SMILESC=COP(=O)(O)OCC(C)OCC(C)O
InChIInChI=1S/C8H17O6P/c1-4-13-15(10,11)14-6-8(3)12-5-7(2)9/h4,7-9H,1,5-6H2,2-3H3,(H,10,11)
InChIKeyLKMMCAVHTJAVHW-UHFFFAOYSA-N
MW240.19 g/mol
LogP1.05
Rot. Bonds8

About ethenyl 2-(2-hydroxypropoxy)propyl hydrogen phosphate

ethenyl 2-(2-hydroxypropoxy)propyl hydrogen phosphate (PubChem CID 88836579) has the molecular formula C8H17O6P and a molecular weight of 240.19 g/mol. Its IUPAC name is ethenyl 2-(2-hydroxypropoxy)propyl hydrogen phosphate.

Molecular Properties

Compound Nameethenyl 2-(2-hydroxypropoxy)propyl hydrogen phosphate
PubChem CID88836579
Molecular FormulaC8H17O6P
Molecular Weight240.19 g/mol
Exact Mass240.08
IUPAC Nameethenyl 2-(2-hydroxypropoxy)propyl hydrogen phosphate
SMILESC=COP(=O)(O)OCC(C)OCC(C)O
InChIInChI=1S/C8H17O6P/c1-4-13-15(10,11)14-6-8(3)12-5-7(2)9/h4,7-9H,1,5-6H2,2-3H3,(H,10,11)
InChIKeyLKMMCAVHTJAVHW-UHFFFAOYSA-N
XLogP1.05
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl 2-(2-hydroxypropoxy)propyl hydrogen phosphate?
The IUPAC name of ethenyl 2-(2-hydroxypropoxy)propyl hydrogen phosphate (CID 88836579) is ethenyl 2-(2-hydroxypropoxy)propyl hydrogen phosphate.
What is the SMILES notation for ethenyl 2-(2-hydroxypropoxy)propyl hydrogen phosphate?
The canonical SMILES for ethenyl 2-(2-hydroxypropoxy)propyl hydrogen phosphate is C=COP(=O)(O)OCC(C)OCC(C)O.
What is the InChIKey of ethenyl 2-(2-hydroxypropoxy)propyl hydrogen phosphate?
The InChIKey is LKMMCAVHTJAVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O6P/c1-4-13-15(10,11)14-6-8(3)12-5-7(2)9/h4,7-9H,1,5-6H2,2-3H3,(H,10,11).
What are the key properties of ethenyl 2-(2-hydroxypropoxy)propyl hydrogen phosphate?
ethenyl 2-(2-hydroxypropoxy)propyl hydrogen phosphate has a molecular weight of 240.19 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-(2-hydroxypropoxy)propyl hydrogen phosphate is sourced from PubChem (CID 88836579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).