[(2Z)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate

C10H20O7P2 — CID 5280528

IUPAC[(2Z)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate
SMILESCC(C)=CCC/C(C)=C\COP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7-
InChIKeyGVVPGTZRZFNKDS-YFHOEESVSA-N
MW314.21 g/mol
LogP2.91
Rot. Bonds8

About [(2Z)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate

[(2Z)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate (PubChem CID 5280528) has the molecular formula C10H20O7P2 and a molecular weight of 314.21 g/mol. Its IUPAC name is [(2Z)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate.

Molecular Properties

Compound Name[(2Z)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate
PubChem CID5280528
Molecular FormulaC10H20O7P2
Molecular Weight314.21 g/mol
Exact Mass314.07
IUPAC Name[(2Z)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate
SMILESCC(C)=CCC/C(C)=C\COP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7-
InChIKeyGVVPGTZRZFNKDS-YFHOEESVSA-N
XLogP2.91
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.91
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

Farnesyl pyrophosphate
CID 445713
Geranyl Diphosphate
CID 445995
Geranylgeranyl pyrophosphate
CID 447277
All-trans-nonaprenyl diphosphate
CID 5280650
2-cis,6-trans-Farnesyl diphosphate
CID 445683
2-cis,6-trans,10-trans-Geranylgeranyl diphosphate
CID 5281909
All-trans-hexaprenyl diphosphate
CID 5280413
Octaprenyl diphosphate
CID 5280651
2-Trans,6-trans,10-trans-geranylgeranyl diphosphate(3-)
CID 5497105
2-Trans,6-cis-farnesyl diphosphate
CID 10970974
2-Trans,6-trans-farnesyl diphosphate(3-)
CID 15983959
All-trans-decaprenyl diphosphate
CID 5462210

Frequently Asked Questions

What is the IUPAC name of [(2Z)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate?
The IUPAC name of [(2Z)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate (CID 5280528) is [(2Z)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate.
What is the SMILES notation for [(2Z)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate?
The canonical SMILES for [(2Z)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate is CC(C)=CCC/C(C)=C\COP(=O)(O)OP(=O)(O)O.
What is the InChIKey of [(2Z)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate?
The InChIKey is GVVPGTZRZFNKDS-YFHOEESVSA-N. The full InChI is InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7-.
What are the key properties of [(2Z)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate?
[(2Z)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate has a molecular weight of 314.21 g/mol, XLogP of 2.91, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate is sourced from PubChem (CID 5280528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).