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

C11H22O7P2 — CID 10711345

IUPAC[(2E)-3-ethyl-7-methylocta-2,6-dienyl] phosphono hydrogen phosphate
SMILESCC/C(=C\COP(=O)(O)OP(=O)(O)O)CCC=C(C)C
InChIInChI=1S/C11H22O7P2/c1-4-11(7-5-6-10(2)3)8-9-17-20(15,16)18-19(12,13)14/h6,8H,4-5,7,9H2,1-3H3,(H,15,16)(H2,12,13,14)/b11-8+
InChIKeyHCDDXXBWMWKOLB-DHZHZOJOSA-N
MW328.24 g/mol
LogP3.30
Rot. Bonds9

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

[(2E)-3-ethyl-7-methylocta-2,6-dienyl] phosphono hydrogen phosphate (PubChem CID 10711345) has the molecular formula C11H22O7P2 and a molecular weight of 328.24 g/mol. Its IUPAC name is [(2E)-3-ethyl-7-methylocta-2,6-dienyl] phosphono hydrogen phosphate.

Molecular Properties

Compound Name[(2E)-3-ethyl-7-methylocta-2,6-dienyl] phosphono hydrogen phosphate
PubChem CID10711345
Molecular FormulaC11H22O7P2
Molecular Weight328.24 g/mol
Exact Mass328.08
IUPAC Name[(2E)-3-ethyl-7-methylocta-2,6-dienyl] phosphono hydrogen phosphate
SMILESCC/C(=C\COP(=O)(O)OP(=O)(O)O)CCC=C(C)C
InChIInChI=1S/C11H22O7P2/c1-4-11(7-5-6-10(2)3)8-9-17-20(15,16)18-19(12,13)14/h6,8H,4-5,7,9H2,1-3H3,(H,15,16)(H2,12,13,14)/b11-8+
InChIKeyHCDDXXBWMWKOLB-DHZHZOJOSA-N
XLogP3.30
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.30
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'}

Analyze [(2E)-3-ethyl-7-methylocta-2,6-dienyl] phosphono hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
3-methylbut-2-enyl phosphono hydrogen phosphate;phosphono dihydrogen phosphate
CID 87590425
3-methylbut-2-enyl dihydrogen phosphate;3-methylbut-2-enyl phosphono hydrogen phosphate
CID 146257613

Frequently Asked Questions

What is the IUPAC name of [(2E)-3-ethyl-7-methylocta-2,6-dienyl] phosphono hydrogen phosphate?
The IUPAC name of [(2E)-3-ethyl-7-methylocta-2,6-dienyl] phosphono hydrogen phosphate (CID 10711345) is [(2E)-3-ethyl-7-methylocta-2,6-dienyl] phosphono hydrogen phosphate.
What is the SMILES notation for [(2E)-3-ethyl-7-methylocta-2,6-dienyl] phosphono hydrogen phosphate?
The canonical SMILES for [(2E)-3-ethyl-7-methylocta-2,6-dienyl] phosphono hydrogen phosphate is CC/C(=C\COP(=O)(O)OP(=O)(O)O)CCC=C(C)C.
What is the InChIKey of [(2E)-3-ethyl-7-methylocta-2,6-dienyl] phosphono hydrogen phosphate?
The InChIKey is HCDDXXBWMWKOLB-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H22O7P2/c1-4-11(7-5-6-10(2)3)8-9-17-20(15,16)18-19(12,13)14/h6,8H,4-5,7,9H2,1-3H3,(H,15,16)(H2,12,13,14)/b11-8+.
What are the key properties of [(2E)-3-ethyl-7-methylocta-2,6-dienyl] phosphono hydrogen phosphate?
[(2E)-3-ethyl-7-methylocta-2,6-dienyl] phosphono hydrogen phosphate has a molecular weight of 328.24 g/mol, XLogP of 3.30, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-3-ethyl-7-methylocta-2,6-dienyl] phosphono hydrogen phosphate is sourced from PubChem (CID 10711345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).