dec-1-enylphosphonic acid

C10H21O3P — CID 54269963

IUPACdec-1-enylphosphonic acid
SMILESCCCCCCCCC=CP(=O)(O)O
InChIInChI=1S/C10H21O3P/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h9-10H,2-8H2,1H3,(H2,11,12,13)
InChIKeyRJKXIZVEIYTGBH-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.43
Rot. Bonds8

About dec-1-enylphosphonic acid

dec-1-enylphosphonic acid (PubChem CID 54269963) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is dec-1-enylphosphonic acid.

Molecular Properties

Compound Namedec-1-enylphosphonic acid
PubChem CID54269963
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Namedec-1-enylphosphonic acid
SMILESCCCCCCCCC=CP(=O)(O)O
InChIInChI=1S/C10H21O3P/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h9-10H,2-8H2,1H3,(H2,11,12,13)
InChIKeyRJKXIZVEIYTGBH-UHFFFAOYSA-N
XLogP3.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-octadec-1-enyl]phosphonic acid
CID 21162971
pent-1-enylphosphonic acid
CID 54140925
1-bis(hept-1-enyl)phosphorylhept-1-ene
CID 150808635
(E)-octadec-9-en-1-ol;phosphoric acid
CID 18003832
(E)-1-dimethoxyphosphoryltetracont-1-ene
CID 21315282
bis(hept-1-enyl) hydrogen phosphate;bis(non-1-enyl) hydrogen phosphate;bis(oct-1-enyl) hydrogen phosphate
CID 160525345
[(E)-non-1-enyl] dihydrogen phosphate
CID 19800808
(Z)-tricos-11-ene
CID 5356790
nonacos-7-ene
CID 71381021
(Z)-triacont-9-ene
CID 57484178
hexacont-21-ene
CID 54293076
pentacos-9-ene
CID 25201650

Frequently Asked Questions

What is the IUPAC name of dec-1-enylphosphonic acid?
The IUPAC name of dec-1-enylphosphonic acid (CID 54269963) is dec-1-enylphosphonic acid.
What is the SMILES notation for dec-1-enylphosphonic acid?
The canonical SMILES for dec-1-enylphosphonic acid is CCCCCCCCC=CP(=O)(O)O.
What is the InChIKey of dec-1-enylphosphonic acid?
The InChIKey is RJKXIZVEIYTGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O3P/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h9-10H,2-8H2,1H3,(H2,11,12,13).
What are the key properties of dec-1-enylphosphonic acid?
dec-1-enylphosphonic acid has a molecular weight of 220.25 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dec-1-enylphosphonic acid is sourced from PubChem (CID 54269963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).