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

C11H22O7P2 — CID 51351720

IUPACphosphono [(2E)-2,3,7-trimethylocta-2,6-dienyl] hydrogen phosphate
SMILESCC(C)=CCC/C(C)=C(\C)COP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C11H22O7P2/c1-9(2)6-5-7-10(3)11(4)8-17-20(15,16)18-19(12,13)14/h6H,5,7-8H2,1-4H3,(H,15,16)(H2,12,13,14)/b11-10+
InChIKeyPRUWPPRJQIGKNB-ZHACJKMWSA-N
MW328.24 g/mol
LogP3.30
Rot. Bonds8

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

phosphono [(2E)-2,3,7-trimethylocta-2,6-dienyl] hydrogen phosphate (PubChem CID 51351720) has the molecular formula C11H22O7P2 and a molecular weight of 328.24 g/mol. Its IUPAC name is phosphono [(2E)-2,3,7-trimethylocta-2,6-dienyl] hydrogen phosphate.

Molecular Properties

Compound Namephosphono [(2E)-2,3,7-trimethylocta-2,6-dienyl] hydrogen phosphate
PubChem CID51351720
Molecular FormulaC11H22O7P2
Molecular Weight328.24 g/mol
Exact Mass328.08
IUPAC Namephosphono [(2E)-2,3,7-trimethylocta-2,6-dienyl] hydrogen phosphate
SMILESCC(C)=CCC/C(C)=C(\C)COP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C11H22O7P2/c1-9(2)6-5-7-10(3)11(4)8-17-20(15,16)18-19(12,13)14/h6H,5,7-8H2,1-4H3,(H,15,16)(H2,12,13,14)/b11-10+
InChIKeyPRUWPPRJQIGKNB-ZHACJKMWSA-N
XLogP3.30
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
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'}

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Frequently Asked Questions

What is the IUPAC name of phosphono [(2E)-2,3,7-trimethylocta-2,6-dienyl] hydrogen phosphate?
The IUPAC name of phosphono [(2E)-2,3,7-trimethylocta-2,6-dienyl] hydrogen phosphate (CID 51351720) is phosphono [(2E)-2,3,7-trimethylocta-2,6-dienyl] hydrogen phosphate.
What is the SMILES notation for phosphono [(2E)-2,3,7-trimethylocta-2,6-dienyl] hydrogen phosphate?
The canonical SMILES for phosphono [(2E)-2,3,7-trimethylocta-2,6-dienyl] hydrogen phosphate is CC(C)=CCC/C(C)=C(\C)COP(=O)(O)OP(=O)(O)O.
What is the InChIKey of phosphono [(2E)-2,3,7-trimethylocta-2,6-dienyl] hydrogen phosphate?
The InChIKey is PRUWPPRJQIGKNB-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H22O7P2/c1-9(2)6-5-7-10(3)11(4)8-17-20(15,16)18-19(12,13)14/h6H,5,7-8H2,1-4H3,(H,15,16)(H2,12,13,14)/b11-10+.
What are the key properties of phosphono [(2E)-2,3,7-trimethylocta-2,6-dienyl] hydrogen phosphate?
phosphono [(2E)-2,3,7-trimethylocta-2,6-dienyl] hydrogen phosphate has a molecular weight of 328.24 g/mol, XLogP of 3.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono [(2E)-2,3,7-trimethylocta-2,6-dienyl] hydrogen phosphate is sourced from PubChem (CID 51351720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).