acetylene;prop-2-enylphosphonic acid

C7H11O3P — CID 175361195

IUPACacetylene;prop-2-enylphosphonic acid
SMILESC#C.C#C.C=CCP(=O)(O)O
InChIInChI=1S/C3H7O3P.2C2H2/c1-2-3-7(4,5)6;2*1-2/h2H,1,3H2,(H2,4,5,6);2*1-2H
InChIKeyHSMFUZWPLOHULR-UHFFFAOYSA-N
MW174.14 g/mol
LogP0.85
Rot. Bonds2

About acetylene;prop-2-enylphosphonic acid

acetylene;prop-2-enylphosphonic acid (PubChem CID 175361195) has the molecular formula C7H11O3P and a molecular weight of 174.14 g/mol. Its IUPAC name is acetylene;prop-2-enylphosphonic acid.

Molecular Properties

Compound Nameacetylene;prop-2-enylphosphonic acid
PubChem CID175361195
Molecular FormulaC7H11O3P
Molecular Weight174.14 g/mol
Exact Mass174.04
IUPAC Nameacetylene;prop-2-enylphosphonic acid
SMILESC#C.C#C.C=CCP(=O)(O)O
InChIInChI=1S/C3H7O3P.2C2H2/c1-2-3-7(4,5)6;2*1-2/h2H,1,3H2,(H2,4,5,6);2*1-2H
InChIKeyHSMFUZWPLOHULR-UHFFFAOYSA-N
XLogP0.85
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;ethanol;prop-2-enylphosphonic acid
CID 174385438
bis(prop-2-enyl)phosphinic acid;hydrochloride
CID 88719612
4-phosphonobut-2-enylphosphonic acid
CID 54391538
[(E)-4-phosphonobut-2-enyl]phosphonic acid
CID 19104465
3-diethylphosphorylprop-1-ene
CID 13431646
prop-2-enoxymethylphosphonic acid
CID 12585568
acetylene;phosphoric acid;prop-2-enoic acid
CID 175312819
3-dichlorophosphorylprop-1-ene;phosphoryl trichloride
CID 174369495
dicesium;dioxido-oxo-prop-2-enyl-λ5-phosphane
CID 87403767
[phosphonomethyl(prop-2-enyl)amino]methylphosphonic acid
CID 4297291
bis(but-3-enyl)phosphinic acid
CID 10487444
fluorophosphonic acid;prop-2-en-1-amine
CID 173413969

Frequently Asked Questions

What is the IUPAC name of acetylene;prop-2-enylphosphonic acid?
The IUPAC name of acetylene;prop-2-enylphosphonic acid (CID 175361195) is acetylene;prop-2-enylphosphonic acid.
What is the SMILES notation for acetylene;prop-2-enylphosphonic acid?
The canonical SMILES for acetylene;prop-2-enylphosphonic acid is C#C.C#C.C=CCP(=O)(O)O.
What is the InChIKey of acetylene;prop-2-enylphosphonic acid?
The InChIKey is HSMFUZWPLOHULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O3P.2C2H2/c1-2-3-7(4,5)6;2*1-2/h2H,1,3H2,(H2,4,5,6);2*1-2H.
What are the key properties of acetylene;prop-2-enylphosphonic acid?
acetylene;prop-2-enylphosphonic acid has a molecular weight of 174.14 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;prop-2-enylphosphonic acid is sourced from PubChem (CID 175361195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).