nona-4,6,8-trien-3-ylphosphonic acid

C9H15O3P — CID 90728250

IUPACnona-4,6,8-trien-3-ylphosphonic acid
SMILESC=CC=CC=CC(CC)P(=O)(O)O
InChIInChI=1S/C9H15O3P/c1-3-5-6-7-8-9(4-2)13(10,11)12/h3,5-9H,1,4H2,2H3,(H2,10,11,12)
InChIKeyOKKWNHHWASSIIH-UHFFFAOYSA-N
MW202.19 g/mol
LogP2.24
Rot. Bonds5

About nona-4,6,8-trien-3-ylphosphonic acid

nona-4,6,8-trien-3-ylphosphonic acid (PubChem CID 90728250) has the molecular formula C9H15O3P and a molecular weight of 202.19 g/mol. Its IUPAC name is nona-4,6,8-trien-3-ylphosphonic acid.

Molecular Properties

Compound Namenona-4,6,8-trien-3-ylphosphonic acid
PubChem CID90728250
Molecular FormulaC9H15O3P
Molecular Weight202.19 g/mol
Exact Mass202.08
IUPAC Namenona-4,6,8-trien-3-ylphosphonic acid
SMILESC=CC=CC=CC(CC)P(=O)(O)O
InChIInChI=1S/C9H15O3P/c1-3-5-6-7-8-9(4-2)13(10,11)12/h3,5-9H,1,4H2,2H3,(H2,10,11,12)
InChIKeyOKKWNHHWASSIIH-UHFFFAOYSA-N
XLogP2.24
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze nona-4,6,8-trien-3-ylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]phosphonic acid
CID 10353790
Methylene(phenyl)phosphinic acid
CID 129723581
Ethylidene-tetramethylene phosphonic acid
CID 87731824
[(E)-hex-2-en-3-yl]-hydroxy-oxophosphanium
CID 134857996
fluoro-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]phosphinic acid
CID 142143106
[(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phosphonic acid
CID 10017574
[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-phosphonooxyphosphinic acid
CID 10018240
hydroxy-oxo-[(E)-pent-3-enyl]phosphanium
CID 20026337
Cyclohexa-1,3-dien-1-ylphosphonic acid
CID 20284611
[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphonic acid
CID 21835318
[(4E,6E)-3,7,11-trimethyldodeca-1,2,4,6,10-pentaenyl]phosphonic acid
CID 21835319
[(E)-oct-4-enyl]phosphonic acid
CID 22971762

Frequently Asked Questions

What is the IUPAC name of nona-4,6,8-trien-3-ylphosphonic acid?
The IUPAC name of nona-4,6,8-trien-3-ylphosphonic acid (CID 90728250) is nona-4,6,8-trien-3-ylphosphonic acid.
What is the SMILES notation for nona-4,6,8-trien-3-ylphosphonic acid?
The canonical SMILES for nona-4,6,8-trien-3-ylphosphonic acid is C=CC=CC=CC(CC)P(=O)(O)O.
What is the InChIKey of nona-4,6,8-trien-3-ylphosphonic acid?
The InChIKey is OKKWNHHWASSIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O3P/c1-3-5-6-7-8-9(4-2)13(10,11)12/h3,5-9H,1,4H2,2H3,(H2,10,11,12).
What are the key properties of nona-4,6,8-trien-3-ylphosphonic acid?
nona-4,6,8-trien-3-ylphosphonic acid has a molecular weight of 202.19 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nona-4,6,8-trien-3-ylphosphonic acid is sourced from PubChem (CID 90728250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).