(6,10-dimethyl-1-phosphonoundeca-5,9-dienyl)-formyl-dihydroxyphosphanium

C14H27O6P2+ — CID 57322273

IUPAC(6,10-dimethyl-1-phosphonoundeca-5,9-dienyl)-formyl-dihydroxyphosphanium
SMILESCC(C)=CCCC(C)=CCCCC(P(=O)(O)O)[P+](O)(O)C=O
InChIInChI=1S/C14H26O6P2/c1-12(2)7-6-9-13(3)8-4-5-10-14(22(18,19)20)21(16,17)11-15/h7-8,11,14,16-17H,4-6,9-10H2,1-3H3,(H-,18,19,20)/p+1
InChIKeyPWHIPLDCPUDGSS-UHFFFAOYSA-O
MW353.31 g/mol
LogP3.38
Rot. Bonds10

About (6,10-dimethyl-1-phosphonoundeca-5,9-dienyl)-formyl-dihydroxyphosphanium

(6,10-dimethyl-1-phosphonoundeca-5,9-dienyl)-formyl-dihydroxyphosphanium (PubChem CID 57322273) has the molecular formula C14H27O6P2+ and a molecular weight of 353.31 g/mol. Its IUPAC name is (6,10-dimethyl-1-phosphonoundeca-5,9-dienyl)-formyl-dihydroxyphosphanium.

Molecular Properties

Compound Name(6,10-dimethyl-1-phosphonoundeca-5,9-dienyl)-formyl-dihydroxyphosphanium
PubChem CID57322273
Molecular FormulaC14H27O6P2+
Molecular Weight353.31 g/mol
Exact Mass353.13
IUPAC Name(6,10-dimethyl-1-phosphonoundeca-5,9-dienyl)-formyl-dihydroxyphosphanium
SMILESCC(C)=CCCC(C)=CCCCC(P(=O)(O)O)[P+](O)(O)C=O
InChIInChI=1S/C14H26O6P2/c1-12(2)7-6-9-13(3)8-4-5-10-14(22(18,19)20)21(16,17)11-15/h7-8,11,14,16-17H,4-6,9-10H2,1-3H3,(H-,18,19,20)/p+1
InChIKeyPWHIPLDCPUDGSS-UHFFFAOYSA-O
XLogP3.38
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

[(5E,9E)-1-[hydroxy(methyl)phosphoryl]-6,10,14-trimethylpentadeca-5,9,13-trienyl]phosphonic acid
CID 10386617
(6E,10E)-7,11,15-trimethyl-2-(phosphonomethyl)hexadeca-6,10,14-trienoic acid
CID 22404035
[1-[ethoxy(methyl)phosphoryl]-6,10-dimethylundeca-5,9-dienyl]phosphonic acid
CID 54550995
[(1R,2Z,6Z)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid
CID 125183305
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphoric acid
CID 174586289
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphono dihydrogen phosphate
CID 173057958
[1-[formyl(oxo)phosphaniumyl]-6,10-dimethylundeca-5,9-dienyl]-trihydroxyphosphanium
CID 57121402
[[(5E)-6,10-dimethylundeca-5,9-dienoxy]methyl-hydroxyphosphoryl]methylphosphonic acid
CID 19108375
[(2E)-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate;3,7,11-trimethyldodeca-2,6,10-trienyl dihydrogen phosphate
CID 174760400
[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] dihydrogen phosphate
CID 11388871
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] dihydrogen phosphate
CID 10357552

Frequently Asked Questions

What is the IUPAC name of (6,10-dimethyl-1-phosphonoundeca-5,9-dienyl)-formyl-dihydroxyphosphanium?
The IUPAC name of (6,10-dimethyl-1-phosphonoundeca-5,9-dienyl)-formyl-dihydroxyphosphanium (CID 57322273) is (6,10-dimethyl-1-phosphonoundeca-5,9-dienyl)-formyl-dihydroxyphosphanium.
What is the SMILES notation for (6,10-dimethyl-1-phosphonoundeca-5,9-dienyl)-formyl-dihydroxyphosphanium?
The canonical SMILES for (6,10-dimethyl-1-phosphonoundeca-5,9-dienyl)-formyl-dihydroxyphosphanium is CC(C)=CCCC(C)=CCCCC(P(=O)(O)O)[P+](O)(O)C=O.
What is the InChIKey of (6,10-dimethyl-1-phosphonoundeca-5,9-dienyl)-formyl-dihydroxyphosphanium?
The InChIKey is PWHIPLDCPUDGSS-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H26O6P2/c1-12(2)7-6-9-13(3)8-4-5-10-14(22(18,19)20)21(16,17)11-15/h7-8,11,14,16-17H,4-6,9-10H2,1-3H3,(H-,18,19,20)/p+1.
What are the key properties of (6,10-dimethyl-1-phosphonoundeca-5,9-dienyl)-formyl-dihydroxyphosphanium?
(6,10-dimethyl-1-phosphonoundeca-5,9-dienyl)-formyl-dihydroxyphosphanium has a molecular weight of 353.31 g/mol, XLogP of 3.38, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6,10-dimethyl-1-phosphonoundeca-5,9-dienyl)-formyl-dihydroxyphosphanium is sourced from PubChem (CID 57322273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).