pent-1-en-3-ylphosphonic acid

C5H11O3P — CID 19908677

IUPACpent-1-en-3-ylphosphonic acid
SMILESC=CC(CC)P(=O)(O)O
InChIInChI=1S/C5H11O3P/c1-3-5(4-2)9(6,7)8/h3,5H,1,4H2,2H3,(H2,6,7,8)
InChIKeyLVJZTJINIZACLZ-UHFFFAOYSA-N
MW150.11 g/mol
LogP1.13
Rot. Bonds3

About pent-1-en-3-ylphosphonic acid

pent-1-en-3-ylphosphonic acid (PubChem CID 19908677) has the molecular formula C5H11O3P and a molecular weight of 150.11 g/mol. Its IUPAC name is pent-1-en-3-ylphosphonic acid.

Molecular Properties

Compound Namepent-1-en-3-ylphosphonic acid
PubChem CID19908677
Molecular FormulaC5H11O3P
Molecular Weight150.11 g/mol
Exact Mass150.04
IUPAC Namepent-1-en-3-ylphosphonic acid
SMILESC=CC(CC)P(=O)(O)O
InChIInChI=1S/C5H11O3P/c1-3-5(4-2)9(6,7)8/h3,5H,1,4H2,2H3,(H2,6,7,8)
InChIKeyLVJZTJINIZACLZ-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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Frequently Asked Questions

What is the IUPAC name of pent-1-en-3-ylphosphonic acid?
The IUPAC name of pent-1-en-3-ylphosphonic acid (CID 19908677) is pent-1-en-3-ylphosphonic acid.
What is the SMILES notation for pent-1-en-3-ylphosphonic acid?
The canonical SMILES for pent-1-en-3-ylphosphonic acid is C=CC(CC)P(=O)(O)O.
What is the InChIKey of pent-1-en-3-ylphosphonic acid?
The InChIKey is LVJZTJINIZACLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O3P/c1-3-5(4-2)9(6,7)8/h3,5H,1,4H2,2H3,(H2,6,7,8).
What are the key properties of pent-1-en-3-ylphosphonic acid?
pent-1-en-3-ylphosphonic 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-1-en-3-ylphosphonic acid is sourced from PubChem (CID 19908677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).