[1-[formyl(oxo)phosphaniumyl]-10,14-dimethylpentadeca-9,13-dienyl]-trihydroxyphosphanium

C18H34O5P2+2 — CID 57184738

IUPAC[1-[formyl(oxo)phosphaniumyl]-10,14-dimethylpentadeca-9,13-dienyl]-trihydroxyphosphanium
SMILESCC(C)=CCCC(C)=CCCCCCCCC([P+](=O)C=O)[P+](O)(O)O
InChIInChI=1S/C18H34O5P2/c1-16(2)11-10-13-17(3)12-8-6-4-5-7-9-14-18(24(20)15-19)25(21,22)23/h11-12,15,18,21-23H,4-10,13-14H2,1-3H3/q+2
InChIKeyKFNDJQDNCRZGNF-UHFFFAOYSA-N
MW392.41 g/mol
LogP5.49
Rot. Bonds14

About [1-[formyl(oxo)phosphaniumyl]-10,14-dimethylpentadeca-9,13-dienyl]-trihydroxyphosphanium

[1-[formyl(oxo)phosphaniumyl]-10,14-dimethylpentadeca-9,13-dienyl]-trihydroxyphosphanium (PubChem CID 57184738) has the molecular formula C18H34O5P2+2 and a molecular weight of 392.41 g/mol. Its IUPAC name is [1-[formyl(oxo)phosphaniumyl]-10,14-dimethylpentadeca-9,13-dienyl]-trihydroxyphosphanium.

Molecular Properties

Compound Name[1-[formyl(oxo)phosphaniumyl]-10,14-dimethylpentadeca-9,13-dienyl]-trihydroxyphosphanium
PubChem CID57184738
Molecular FormulaC18H34O5P2+2
Molecular Weight392.41 g/mol
Exact Mass392.19
IUPAC Name[1-[formyl(oxo)phosphaniumyl]-10,14-dimethylpentadeca-9,13-dienyl]-trihydroxyphosphanium
SMILESCC(C)=CCCC(C)=CCCCCCCCC([P+](=O)C=O)[P+](O)(O)O
InChIInChI=1S/C18H34O5P2/c1-16(2)11-10-13-17(3)12-8-6-4-5-7-9-14-18(24(20)15-19)25(21,22)23/h11-12,15,18,21-23H,4-10,13-14H2,1-3H3/q+2
InChIKeyKFNDJQDNCRZGNF-UHFFFAOYSA-N
XLogP5.49
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.41
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-[formyl(oxo)phosphaniumyl]-10,14-dimethylpentadeca-9,13-dienyl]-trihydroxyphosphanium 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

[1-[formyl(oxo)phosphaniumyl]-6,10-dimethylundeca-5,9-dienyl]-trihydroxyphosphanium
CID 57121402
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
2,6-dimethyltetradeca-2,6-diene
CID 57189781
[[(8E)-1-bis(trimethylsilyloxy)phosphoryl-9,13-dimethyltetradeca-8,12-dienyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane
CID 11765041
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 5362831
(6,10-dimethyl-1-phosphonoundeca-5,9-dienyl)-formyl-dihydroxyphosphanium
CID 57322273
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid
CID 11076782

Frequently Asked Questions

What is the IUPAC name of [1-[formyl(oxo)phosphaniumyl]-10,14-dimethylpentadeca-9,13-dienyl]-trihydroxyphosphanium?
The IUPAC name of [1-[formyl(oxo)phosphaniumyl]-10,14-dimethylpentadeca-9,13-dienyl]-trihydroxyphosphanium (CID 57184738) is [1-[formyl(oxo)phosphaniumyl]-10,14-dimethylpentadeca-9,13-dienyl]-trihydroxyphosphanium.
What is the SMILES notation for [1-[formyl(oxo)phosphaniumyl]-10,14-dimethylpentadeca-9,13-dienyl]-trihydroxyphosphanium?
The canonical SMILES for [1-[formyl(oxo)phosphaniumyl]-10,14-dimethylpentadeca-9,13-dienyl]-trihydroxyphosphanium is CC(C)=CCCC(C)=CCCCCCCCC([P+](=O)C=O)[P+](O)(O)O.
What is the InChIKey of [1-[formyl(oxo)phosphaniumyl]-10,14-dimethylpentadeca-9,13-dienyl]-trihydroxyphosphanium?
The InChIKey is KFNDJQDNCRZGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O5P2/c1-16(2)11-10-13-17(3)12-8-6-4-5-7-9-14-18(24(20)15-19)25(21,22)23/h11-12,15,18,21-23H,4-10,13-14H2,1-3H3/q+2.
What are the key properties of [1-[formyl(oxo)phosphaniumyl]-10,14-dimethylpentadeca-9,13-dienyl]-trihydroxyphosphanium?
[1-[formyl(oxo)phosphaniumyl]-10,14-dimethylpentadeca-9,13-dienyl]-trihydroxyphosphanium has a molecular weight of 392.41 g/mol, XLogP of 5.49, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[formyl(oxo)phosphaniumyl]-10,14-dimethylpentadeca-9,13-dienyl]-trihydroxyphosphanium is sourced from PubChem (CID 57184738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).