phosphono [(2E)-3,7,11,15-tetramethylhexadeca-2,14-dienyl] hydrogen phosphate

C20H40O7P2 — CID 25244233

IUPACphosphono [(2E)-3,7,11,15-tetramethylhexadeca-2,14-dienyl] hydrogen phosphate
SMILESCC(C)=CCCC(C)CCCC(C)CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C20H40O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,15,18-19H,6-8,10-14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b20-15+
InChIKeyVZBGWADXUJSBTI-HMMYKYKNSA-N
MW454.48 g/mol
LogP6.52
Rot. Bonds16

About phosphono [(2E)-3,7,11,15-tetramethylhexadeca-2,14-dienyl] hydrogen phosphate

phosphono [(2E)-3,7,11,15-tetramethylhexadeca-2,14-dienyl] hydrogen phosphate (PubChem CID 25244233) has the molecular formula C20H40O7P2 and a molecular weight of 454.48 g/mol. Its IUPAC name is phosphono [(2E)-3,7,11,15-tetramethylhexadeca-2,14-dienyl] hydrogen phosphate.

Molecular Properties

Compound Namephosphono [(2E)-3,7,11,15-tetramethylhexadeca-2,14-dienyl] hydrogen phosphate
PubChem CID25244233
Molecular FormulaC20H40O7P2
Molecular Weight454.48 g/mol
Exact Mass454.22
IUPAC Namephosphono [(2E)-3,7,11,15-tetramethylhexadeca-2,14-dienyl] hydrogen phosphate
SMILESCC(C)=CCCC(C)CCCC(C)CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C20H40O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,15,18-19H,6-8,10-14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b20-15+
InChIKeyVZBGWADXUJSBTI-HMMYKYKNSA-N
XLogP6.52
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.48
LogP ≤ 56.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phosphono [(Z,7R)-3,7,11-trimethyldodec-2-enyl] hydrogen phosphate
CID 129412288
phosphono [(2Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate
CID 141397714
[(2E,6Z,10E,14E,18E,22Z,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl] phosphono hydrogen phosphate
CID 11285785
[(2E,6Z,10E,14E,18E,22Z,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl] phosphono hydrogen phosphate
CID 11320104
phosphono [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate
CID 11132720
3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-2,6,10,14,18,22,26,30,34,38,42,46-dodecaenyl phosphono hydrogen phosphate
CID 57250072
[(2Z,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenyl] phosphono hydrogen phosphate
CID 24892764
phosphono [(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,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] hydrogen phosphate
CID 5280700
[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] phosphono hydrogen phosphate
CID 5462210
azane;phosphono [(2E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] hydrogen phosphate
CID 174684808
azane;phosphono [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] hydrogen phosphate
CID 71299734
phosphono [(2E,7E)-3,8,11-trimethyldodeca-2,7,10-trienyl] hydrogen phosphate
CID 102290524

Frequently Asked Questions

What is the IUPAC name of phosphono [(2E)-3,7,11,15-tetramethylhexadeca-2,14-dienyl] hydrogen phosphate?
The IUPAC name of phosphono [(2E)-3,7,11,15-tetramethylhexadeca-2,14-dienyl] hydrogen phosphate (CID 25244233) is phosphono [(2E)-3,7,11,15-tetramethylhexadeca-2,14-dienyl] hydrogen phosphate.
What is the SMILES notation for phosphono [(2E)-3,7,11,15-tetramethylhexadeca-2,14-dienyl] hydrogen phosphate?
The canonical SMILES for phosphono [(2E)-3,7,11,15-tetramethylhexadeca-2,14-dienyl] hydrogen phosphate is CC(C)=CCCC(C)CCCC(C)CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O.
What is the InChIKey of phosphono [(2E)-3,7,11,15-tetramethylhexadeca-2,14-dienyl] hydrogen phosphate?
The InChIKey is VZBGWADXUJSBTI-HMMYKYKNSA-N. The full InChI is InChI=1S/C20H40O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,15,18-19H,6-8,10-14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b20-15+.
What are the key properties of phosphono [(2E)-3,7,11,15-tetramethylhexadeca-2,14-dienyl] hydrogen phosphate?
phosphono [(2E)-3,7,11,15-tetramethylhexadeca-2,14-dienyl] hydrogen phosphate has a molecular weight of 454.48 g/mol, XLogP of 6.52, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono [(2E)-3,7,11,15-tetramethylhexadeca-2,14-dienyl] hydrogen phosphate is sourced from PubChem (CID 25244233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).