ethenylphosphonic acid;propane-1,3-diol

C5H13O5P — CID 159146855

IUPACethenylphosphonic acid;propane-1,3-diol
SMILESC=CP(=O)(O)O.OCCCO
InChIInChI=1S/C3H8O2.C2H5O3P/c4-2-1-3-5;1-2-6(3,4)5/h4-5H,1-3H2;2H,1H2,(H2,3,4,5)
InChIKeyKIUCWDRFZFSHGD-UHFFFAOYSA-N
MW184.13 g/mol
LogP-0.33
Rot. Bonds3

About ethenylphosphonic acid;propane-1,3-diol

ethenylphosphonic acid;propane-1,3-diol (PubChem CID 159146855) has the molecular formula C5H13O5P and a molecular weight of 184.13 g/mol. Its IUPAC name is ethenylphosphonic acid;propane-1,3-diol.

Molecular Properties

Compound Nameethenylphosphonic acid;propane-1,3-diol
PubChem CID159146855
Molecular FormulaC5H13O5P
Molecular Weight184.13 g/mol
Exact Mass184.05
IUPAC Nameethenylphosphonic acid;propane-1,3-diol
SMILESC=CP(=O)(O)O.OCCCO
InChIInChI=1S/C3H8O2.C2H5O3P/c4-2-1-3-5;1-2-6(3,4)5/h4-5H,1-3H2;2H,1H2,(H2,3,4,5)
InChIKeyKIUCWDRFZFSHGD-UHFFFAOYSA-N
XLogP-0.33
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethenylphosphonic acid;propane-1,3-diol?
The IUPAC name of ethenylphosphonic acid;propane-1,3-diol (CID 159146855) is ethenylphosphonic acid;propane-1,3-diol.
What is the SMILES notation for ethenylphosphonic acid;propane-1,3-diol?
The canonical SMILES for ethenylphosphonic acid;propane-1,3-diol is C=CP(=O)(O)O.OCCCO.
What is the InChIKey of ethenylphosphonic acid;propane-1,3-diol?
The InChIKey is KIUCWDRFZFSHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.C2H5O3P/c4-2-1-3-5;1-2-6(3,4)5/h4-5H,1-3H2;2H,1H2,(H2,3,4,5).
What are the key properties of ethenylphosphonic acid;propane-1,3-diol?
ethenylphosphonic acid;propane-1,3-diol has a molecular weight of 184.13 g/mol, XLogP of -0.33, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylphosphonic acid;propane-1,3-diol is sourced from PubChem (CID 159146855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).