phosphono [(2E,7E)-3,8,11-trimethyldodeca-2,7,10-trienyl] hydrogen phosphate

C15H28O7P2 — CID 102290524

IUPACphosphono [(2E,7E)-3,8,11-trimethyldodeca-2,7,10-trienyl] hydrogen phosphate
SMILESCC(C)=CC/C(C)=C/CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C15H28O7P2/c1-13(2)9-10-14(3)7-5-6-8-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-7+,15-11+
InChIKeyASOPSFFGTZHQNL-LRDJDILRSA-N
MW382.33 g/mol
LogP4.63
Rot. Bonds11

About phosphono [(2E,7E)-3,8,11-trimethyldodeca-2,7,10-trienyl] hydrogen phosphate

phosphono [(2E,7E)-3,8,11-trimethyldodeca-2,7,10-trienyl] hydrogen phosphate (PubChem CID 102290524) has the molecular formula C15H28O7P2 and a molecular weight of 382.33 g/mol. Its IUPAC name is phosphono [(2E,7E)-3,8,11-trimethyldodeca-2,7,10-trienyl] hydrogen phosphate.

Molecular Properties

Compound Namephosphono [(2E,7E)-3,8,11-trimethyldodeca-2,7,10-trienyl] hydrogen phosphate
PubChem CID102290524
Molecular FormulaC15H28O7P2
Molecular Weight382.33 g/mol
Exact Mass382.13
IUPAC Namephosphono [(2E,7E)-3,8,11-trimethyldodeca-2,7,10-trienyl] hydrogen phosphate
SMILESCC(C)=CC/C(C)=C/CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C15H28O7P2/c1-13(2)9-10-14(3)7-5-6-8-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-7+,15-11+
InChIKeyASOPSFFGTZHQNL-LRDJDILRSA-N
XLogP4.63
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

phosphono [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate
CID 11132720
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,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
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
[(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
[(2E,6E)-10-amino-3,7-dimethyldeca-2,6-dienyl] phosphono hydrogen phosphate
CID 167165873
[(E)-6-methoxy-3-methylhex-2-enyl] phosphono hydrogen phosphate
CID 15765318

Frequently Asked Questions

What is the IUPAC name of phosphono [(2E,7E)-3,8,11-trimethyldodeca-2,7,10-trienyl] hydrogen phosphate?
The IUPAC name of phosphono [(2E,7E)-3,8,11-trimethyldodeca-2,7,10-trienyl] hydrogen phosphate (CID 102290524) is phosphono [(2E,7E)-3,8,11-trimethyldodeca-2,7,10-trienyl] hydrogen phosphate.
What is the SMILES notation for phosphono [(2E,7E)-3,8,11-trimethyldodeca-2,7,10-trienyl] hydrogen phosphate?
The canonical SMILES for phosphono [(2E,7E)-3,8,11-trimethyldodeca-2,7,10-trienyl] hydrogen phosphate is CC(C)=CC/C(C)=C/CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O.
What is the InChIKey of phosphono [(2E,7E)-3,8,11-trimethyldodeca-2,7,10-trienyl] hydrogen phosphate?
The InChIKey is ASOPSFFGTZHQNL-LRDJDILRSA-N. The full InChI is InChI=1S/C15H28O7P2/c1-13(2)9-10-14(3)7-5-6-8-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-7+,15-11+.
What are the key properties of phosphono [(2E,7E)-3,8,11-trimethyldodeca-2,7,10-trienyl] hydrogen phosphate?
phosphono [(2E,7E)-3,8,11-trimethyldodeca-2,7,10-trienyl] hydrogen phosphate has a molecular weight of 382.33 g/mol, XLogP of 4.63, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono [(2E,7E)-3,8,11-trimethyldodeca-2,7,10-trienyl] hydrogen phosphate is sourced from PubChem (CID 102290524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).