pent-1-enylphosphonic acid

C5H11O3P — CID 54140925

IUPACpent-1-enylphosphonic acid
SMILESCCCC=CP(=O)(O)O
InChIInChI=1S/C5H11O3P/c1-2-3-4-5-9(6,7)8/h4-5H,2-3H2,1H3,(H2,6,7,8)
InChIKeyOBAMUTKRXTXNFP-UHFFFAOYSA-N
MW150.11 g/mol
LogP1.48
Rot. Bonds3

About pent-1-enylphosphonic acid

pent-1-enylphosphonic acid (PubChem CID 54140925) has the molecular formula C5H11O3P and a molecular weight of 150.11 g/mol. Its IUPAC name is pent-1-enylphosphonic acid.

Molecular Properties

Compound Namepent-1-enylphosphonic acid
PubChem CID54140925
Molecular FormulaC5H11O3P
Molecular Weight150.11 g/mol
Exact Mass150.04
IUPAC Namepent-1-enylphosphonic acid
SMILESCCCC=CP(=O)(O)O
InChIInChI=1S/C5H11O3P/c1-2-3-4-5-9(6,7)8/h4-5H,2-3H2,1H3,(H2,6,7,8)
InChIKeyOBAMUTKRXTXNFP-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-octadec-1-enyl]phosphonic acid
CID 21162971
dec-1-enylphosphonic acid
CID 54269963
[(E)-hex-2-enyl]phosphonic acid
CID 101410418
[(1S)-1-hydroxyhex-2-enyl]phosphonic acid
CID 173184084
diethyl hydrogen phosphate;non-4-ene
CID 175929703
(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
ethane;(E)-oct-4-ene
CID 142055407
(2S)-2-[bis(3-phosphonoprop-2-enyl)amino]pentanoic acid
CID 173092377
1-bis(hept-1-enyl)phosphorylhept-1-ene
CID 150808635
(4E,7E)-undeca-4,7-dien-6-one
CID 23366329
(E)-1-nitrosopent-1-ene
CID 148875645

Frequently Asked Questions

What is the IUPAC name of pent-1-enylphosphonic acid?
The IUPAC name of pent-1-enylphosphonic acid (CID 54140925) is pent-1-enylphosphonic acid.
What is the SMILES notation for pent-1-enylphosphonic acid?
The canonical SMILES for pent-1-enylphosphonic acid is CCCC=CP(=O)(O)O.
What is the InChIKey of pent-1-enylphosphonic acid?
The InChIKey is OBAMUTKRXTXNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O3P/c1-2-3-4-5-9(6,7)8/h4-5H,2-3H2,1H3,(H2,6,7,8).
What are the key properties of pent-1-enylphosphonic acid?
pent-1-enylphosphonic acid has a molecular weight of 150.11 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-enylphosphonic acid is sourced from PubChem (CID 54140925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).