[(2E,6E)-3,7-dimethyltrideca-2,6-dienyl] phosphono hydrogen phosphate

C15H30O7P2 — CID 127049367

IUPAC[(2E,6E)-3,7-dimethyltrideca-2,6-dienyl] phosphono hydrogen phosphate
SMILESCCCCCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C15H30O7P2/c1-4-5-6-7-9-14(2)10-8-11-15(3)12-13-21-24(19,20)22-23(16,17)18/h10,12H,4-9,11,13H2,1-3H3,(H,19,20)(H2,16,17,18)/b14-10+,15-12+
InChIKeyIYHFEEQPTBFYNK-VDQVFBMKSA-N
MW384.35 g/mol
LogP4.86
Rot. Bonds13

About [(2E,6E)-3,7-dimethyltrideca-2,6-dienyl] phosphono hydrogen phosphate

[(2E,6E)-3,7-dimethyltrideca-2,6-dienyl] phosphono hydrogen phosphate (PubChem CID 127049367) has the molecular formula C15H30O7P2 and a molecular weight of 384.35 g/mol. Its IUPAC name is [(2E,6E)-3,7-dimethyltrideca-2,6-dienyl] phosphono hydrogen phosphate.

Molecular Properties

Compound Name[(2E,6E)-3,7-dimethyltrideca-2,6-dienyl] phosphono hydrogen phosphate
PubChem CID127049367
Molecular FormulaC15H30O7P2
Molecular Weight384.35 g/mol
Exact Mass384.15
IUPAC Name[(2E,6E)-3,7-dimethyltrideca-2,6-dienyl] phosphono hydrogen phosphate
SMILESCCCCCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C15H30O7P2/c1-4-5-6-7-9-14(2)10-8-11-15(3)12-13-21-24(19,20)22-23(16,17)18/h10,12H,4-9,11,13H2,1-3H3,(H,19,20)(H2,16,17,18)/b14-10+,15-12+
InChIKeyIYHFEEQPTBFYNK-VDQVFBMKSA-N
XLogP4.86
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 54.86
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

[(2E,6E)-10-amino-3,7-dimethyldeca-2,6-dienyl] phosphono hydrogen phosphate
CID 167165873
[(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
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
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,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] hydrogen phosphate
CID 71299734
azane;phosphono [(2E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] hydrogen phosphate
CID 174684808
[(2E,6E)-3,7-dimethyl-8-propoxyocta-2,6-dienyl] phosphono hydrogen phosphate
CID 10339229

Frequently Asked Questions

What is the IUPAC name of [(2E,6E)-3,7-dimethyltrideca-2,6-dienyl] phosphono hydrogen phosphate?
The IUPAC name of [(2E,6E)-3,7-dimethyltrideca-2,6-dienyl] phosphono hydrogen phosphate (CID 127049367) is [(2E,6E)-3,7-dimethyltrideca-2,6-dienyl] phosphono hydrogen phosphate.
What is the SMILES notation for [(2E,6E)-3,7-dimethyltrideca-2,6-dienyl] phosphono hydrogen phosphate?
The canonical SMILES for [(2E,6E)-3,7-dimethyltrideca-2,6-dienyl] phosphono hydrogen phosphate is CCCCCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O.
What is the InChIKey of [(2E,6E)-3,7-dimethyltrideca-2,6-dienyl] phosphono hydrogen phosphate?
The InChIKey is IYHFEEQPTBFYNK-VDQVFBMKSA-N. The full InChI is InChI=1S/C15H30O7P2/c1-4-5-6-7-9-14(2)10-8-11-15(3)12-13-21-24(19,20)22-23(16,17)18/h10,12H,4-9,11,13H2,1-3H3,(H,19,20)(H2,16,17,18)/b14-10+,15-12+.
What are the key properties of [(2E,6E)-3,7-dimethyltrideca-2,6-dienyl] phosphono hydrogen phosphate?
[(2E,6E)-3,7-dimethyltrideca-2,6-dienyl] phosphono hydrogen phosphate has a molecular weight of 384.35 g/mol, XLogP of 4.86, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,6E)-3,7-dimethyltrideca-2,6-dienyl] phosphono hydrogen phosphate is sourced from PubChem (CID 127049367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).