(4,8-dimethyl-1-phosphononona-3,7-dienyl)-(hydroxymethyl)-oxophosphanium

C12H23O5P2+ — CID 173340532

IUPAC(4,8-dimethyl-1-phosphononona-3,7-dienyl)-(hydroxymethyl)-oxophosphanium
SMILESCC(C)=CCCC(C)=CCC([P+](=O)CO)P(=O)(O)O
InChIInChI=1S/C12H22O5P2/c1-10(2)5-4-6-11(3)7-8-12(18(14)9-13)19(15,16)17/h5,7,12-13H,4,6,8-9H2,1-3H3,(H-,15,16,17)/p+1
InChIKeyFYQHSSIUAYEMJH-UHFFFAOYSA-O
MW309.26 g/mol
LogP3.35
Rot. Bonds8

About (4,8-dimethyl-1-phosphononona-3,7-dienyl)-(hydroxymethyl)-oxophosphanium

(4,8-dimethyl-1-phosphononona-3,7-dienyl)-(hydroxymethyl)-oxophosphanium (PubChem CID 173340532) has the molecular formula C12H23O5P2+ and a molecular weight of 309.26 g/mol. Its IUPAC name is (4,8-dimethyl-1-phosphononona-3,7-dienyl)-(hydroxymethyl)-oxophosphanium.

Molecular Properties

Compound Name(4,8-dimethyl-1-phosphononona-3,7-dienyl)-(hydroxymethyl)-oxophosphanium
PubChem CID173340532
Molecular FormulaC12H23O5P2+
Molecular Weight309.26 g/mol
Exact Mass309.10
IUPAC Name(4,8-dimethyl-1-phosphononona-3,7-dienyl)-(hydroxymethyl)-oxophosphanium
SMILESCC(C)=CCCC(C)=CCC([P+](=O)CO)P(=O)(O)O
InChIInChI=1S/C12H22O5P2/c1-10(2)5-4-6-11(3)7-8-12(18(14)9-13)19(15,16)17/h5,7,12-13H,4,6,8-9H2,1-3H3,(H-,15,16,17)/p+1
InChIKeyFYQHSSIUAYEMJH-UHFFFAOYSA-O
XLogP3.35
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4,8-dimethyl-1-phosphononona-3,7-dienyl)-(hydroxymethyl)-oxophosphanium 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

(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphoric acid
CID 174586289
[(1R,2Z,6Z)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid
CID 125183305
5,9,13-trimethyl-2-phosphonotetradeca-4,8,12-trienoic acid
CID 54211421
[(3E,7E)-1-[hydroxy(phosphonomethyl)phosphoryl]-4,8,12-trimethyltrideca-3,7,11-trienyl]phosphonic acid
CID 10484367
(3E,7E)-4,8,12-trimethyl-1-phosphonotrideca-3,7,11-triene-1-sulfonic acid
CID 19705801
5,9,13-trimethyl-2-(phosphonomethyl)tetradeca-4,8,12-trienoic acid
CID 54543904
[(2E)-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate;phosphoric acid
CID 174363137
[hydroxy(4,8,12-trimethyltrideca-3,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium
CID 57261758
(6E,10E,14E)-2,6,10,14,17-pentamethyloctadeca-2,6,10,14-tetraene
CID 140685405
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphono dihydrogen phosphate
CID 173057958
8-bromo-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 54461369
(4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid
CID 6476245

Frequently Asked Questions

What is the IUPAC name of (4,8-dimethyl-1-phosphononona-3,7-dienyl)-(hydroxymethyl)-oxophosphanium?
The IUPAC name of (4,8-dimethyl-1-phosphononona-3,7-dienyl)-(hydroxymethyl)-oxophosphanium (CID 173340532) is (4,8-dimethyl-1-phosphononona-3,7-dienyl)-(hydroxymethyl)-oxophosphanium.
What is the SMILES notation for (4,8-dimethyl-1-phosphononona-3,7-dienyl)-(hydroxymethyl)-oxophosphanium?
The canonical SMILES for (4,8-dimethyl-1-phosphononona-3,7-dienyl)-(hydroxymethyl)-oxophosphanium is CC(C)=CCCC(C)=CCC([P+](=O)CO)P(=O)(O)O.
What is the InChIKey of (4,8-dimethyl-1-phosphononona-3,7-dienyl)-(hydroxymethyl)-oxophosphanium?
The InChIKey is FYQHSSIUAYEMJH-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H22O5P2/c1-10(2)5-4-6-11(3)7-8-12(18(14)9-13)19(15,16)17/h5,7,12-13H,4,6,8-9H2,1-3H3,(H-,15,16,17)/p+1.
What are the key properties of (4,8-dimethyl-1-phosphononona-3,7-dienyl)-(hydroxymethyl)-oxophosphanium?
(4,8-dimethyl-1-phosphononona-3,7-dienyl)-(hydroxymethyl)-oxophosphanium has a molecular weight of 309.26 g/mol, XLogP of 3.35, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,8-dimethyl-1-phosphononona-3,7-dienyl)-(hydroxymethyl)-oxophosphanium is sourced from PubChem (CID 173340532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).