pent-2-enylphosphonic acid

C5H11O3P — CID 54265620

IUPACpent-2-enylphosphonic acid
SMILESCCC=CCP(=O)(O)O
InChIInChI=1S/C5H11O3P/c1-2-3-4-5-9(6,7)8/h3-4H,2,5H2,1H3,(H2,6,7,8)
InChIKeyRGODNEHBJYMOBY-UHFFFAOYSA-N
MW150.11 g/mol
LogP1.13
Rot. Bonds3

About pent-2-enylphosphonic acid

pent-2-enylphosphonic acid (PubChem CID 54265620) has the molecular formula C5H11O3P and a molecular weight of 150.11 g/mol. Its IUPAC name is pent-2-enylphosphonic acid.

Molecular Properties

Compound Namepent-2-enylphosphonic acid
PubChem CID54265620
Molecular FormulaC5H11O3P
Molecular Weight150.11 g/mol
Exact Mass150.04
IUPAC Namepent-2-enylphosphonic acid
SMILESCCC=CCP(=O)(O)O
InChIInChI=1S/C5H11O3P/c1-2-3-4-5-9(6,7)8/h3-4H,2,5H2,1H3,(H2,6,7,8)
InChIKeyRGODNEHBJYMOBY-UHFFFAOYSA-N
XLogP1.13
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 51.13
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'}

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Related Compounds

Ethylvinylphosphinic acid
CID 86657299
4-Methylpent-3-enylphosphonic acid
CID 11423767
1,1,1-Trifluoropent-3-en-2-ylphosphonic acid
CID 173019276
Ethylidene-tetramethylene phosphonic acid
CID 87731824
Cyclohexa-1,4-diene phosphonate
CID 129765677
3-Phosphono-1,2,3,6-tetrahydrophosphinine
CID 129859677
[(E)-hex-2-en-3-yl]-hydroxy-oxophosphanium
CID 134857996
4-Methylpent-3-enyl(phosphonooxy)phosphinic acid
CID 10060360
[(E)-pent-1-enyl]phosphonic acid
CID 19091278
[(E)-but-2-enyl]phosphonic acid
CID 19091282
Pent-1-en-3-ylphosphonic acid
CID 19908677
But-3-enyl-hydroxy-oxophosphanium
CID 20026331

Frequently Asked Questions

What is the IUPAC name of pent-2-enylphosphonic acid?
The IUPAC name of pent-2-enylphosphonic acid (CID 54265620) is pent-2-enylphosphonic acid.
What is the SMILES notation for pent-2-enylphosphonic acid?
The canonical SMILES for pent-2-enylphosphonic acid is CCC=CCP(=O)(O)O.
What is the InChIKey of pent-2-enylphosphonic acid?
The InChIKey is RGODNEHBJYMOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O3P/c1-2-3-4-5-9(6,7)8/h3-4H,2,5H2,1H3,(H2,6,7,8).
What are the key properties of pent-2-enylphosphonic acid?
pent-2-enylphosphonic acid has a molecular weight of 150.11 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-2-enylphosphonic acid is sourced from PubChem (CID 54265620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).