[1-[formyl(oxo)phosphaniumyl]-6,10-dimethylundeca-5,9-dienyl]-trihydroxyphosphanium

C14H26O5P2+2 — CID 57121402

IUPAC[1-[formyl(oxo)phosphaniumyl]-6,10-dimethylundeca-5,9-dienyl]-trihydroxyphosphanium
SMILESCC(C)=CCCC(C)=CCCCC([P+](=O)C=O)[P+](O)(O)O
InChIInChI=1S/C14H26O5P2/c1-12(2)7-6-9-13(3)8-4-5-10-14(20(16)11-15)21(17,18)19/h7-8,11,14,17-19H,4-6,9-10H2,1-3H3/q+2
InChIKeyIVDPNAZAGLFWQZ-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.93
Rot. Bonds10

About [1-[formyl(oxo)phosphaniumyl]-6,10-dimethylundeca-5,9-dienyl]-trihydroxyphosphanium

[1-[formyl(oxo)phosphaniumyl]-6,10-dimethylundeca-5,9-dienyl]-trihydroxyphosphanium (PubChem CID 57121402) has the molecular formula C14H26O5P2+2 and a molecular weight of 336.31 g/mol. Its IUPAC name is [1-[formyl(oxo)phosphaniumyl]-6,10-dimethylundeca-5,9-dienyl]-trihydroxyphosphanium.

Molecular Properties

Compound Name[1-[formyl(oxo)phosphaniumyl]-6,10-dimethylundeca-5,9-dienyl]-trihydroxyphosphanium
PubChem CID57121402
Molecular FormulaC14H26O5P2+2
Molecular Weight336.31 g/mol
Exact Mass336.12
IUPAC Name[1-[formyl(oxo)phosphaniumyl]-6,10-dimethylundeca-5,9-dienyl]-trihydroxyphosphanium
SMILESCC(C)=CCCC(C)=CCCCC([P+](=O)C=O)[P+](O)(O)O
InChIInChI=1S/C14H26O5P2/c1-12(2)7-6-9-13(3)8-4-5-10-14(20(16)11-15)21(17,18)19/h7-8,11,14,17-19H,4-6,9-10H2,1-3H3/q+2
InChIKeyIVDPNAZAGLFWQZ-UHFFFAOYSA-N
XLogP3.93
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.93
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'}

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Related Compounds

[1-[formyl(oxo)phosphaniumyl]-10,14-dimethylpentadeca-9,13-dienyl]-trihydroxyphosphanium
CID 57184738
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(6,10-dimethyl-1-phosphonoundeca-5,9-dienyl)-formyl-dihydroxyphosphanium
CID 57322273
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(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
[(5E)-1-diethoxyphosphoryl-6,10-dimethylundeca-5,9-dienyl]-ethoxy-oxophosphanium
CID 10024415
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 5362831
3-hydroxy-2,2-bis(hydroxymethyl)-8,12,16,20-tetramethylhenicosa-7,11,15,19-tetraenoic acid
CID 154445294
[(5E,9E)-1-[hydroxy(methyl)phosphoryl]-6,10,14-trimethylpentadeca-5,9,13-trienyl]phosphonic acid
CID 10386617
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986

Frequently Asked Questions

What is the IUPAC name of [1-[formyl(oxo)phosphaniumyl]-6,10-dimethylundeca-5,9-dienyl]-trihydroxyphosphanium?
The IUPAC name of [1-[formyl(oxo)phosphaniumyl]-6,10-dimethylundeca-5,9-dienyl]-trihydroxyphosphanium (CID 57121402) is [1-[formyl(oxo)phosphaniumyl]-6,10-dimethylundeca-5,9-dienyl]-trihydroxyphosphanium.
What is the SMILES notation for [1-[formyl(oxo)phosphaniumyl]-6,10-dimethylundeca-5,9-dienyl]-trihydroxyphosphanium?
The canonical SMILES for [1-[formyl(oxo)phosphaniumyl]-6,10-dimethylundeca-5,9-dienyl]-trihydroxyphosphanium is CC(C)=CCCC(C)=CCCCC([P+](=O)C=O)[P+](O)(O)O.
What is the InChIKey of [1-[formyl(oxo)phosphaniumyl]-6,10-dimethylundeca-5,9-dienyl]-trihydroxyphosphanium?
The InChIKey is IVDPNAZAGLFWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5P2/c1-12(2)7-6-9-13(3)8-4-5-10-14(20(16)11-15)21(17,18)19/h7-8,11,14,17-19H,4-6,9-10H2,1-3H3/q+2.
What are the key properties of [1-[formyl(oxo)phosphaniumyl]-6,10-dimethylundeca-5,9-dienyl]-trihydroxyphosphanium?
[1-[formyl(oxo)phosphaniumyl]-6,10-dimethylundeca-5,9-dienyl]-trihydroxyphosphanium has a molecular weight of 336.31 g/mol, XLogP of 3.93, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[formyl(oxo)phosphaniumyl]-6,10-dimethylundeca-5,9-dienyl]-trihydroxyphosphanium is sourced from PubChem (CID 57121402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).