[(E)-non-4-enyl] dihydrogen phosphate

C9H19O4P — CID 22971761

IUPAC[(E)-non-4-enyl] dihydrogen phosphate
SMILESCCCC/C=C/CCCOP(=O)(O)O
InChIInChI=1S/C9H19O4P/c1-2-3-4-5-6-7-8-9-13-14(10,11)12/h5-6H,2-4,7-9H2,1H3,(H2,10,11,12)/b6-5+
InChIKeyZQGDHBLYAUKSJW-AATRIKPKSA-N
MW222.22 g/mol
LogP2.62
Rot. Bonds8

About [(E)-non-4-enyl] dihydrogen phosphate

[(E)-non-4-enyl] dihydrogen phosphate (PubChem CID 22971761) has the molecular formula C9H19O4P and a molecular weight of 222.22 g/mol. Its IUPAC name is [(E)-non-4-enyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(E)-non-4-enyl] dihydrogen phosphate
PubChem CID22971761
Molecular FormulaC9H19O4P
Molecular Weight222.22 g/mol
Exact Mass222.10
IUPAC Name[(E)-non-4-enyl] dihydrogen phosphate
SMILESCCCC/C=C/CCCOP(=O)(O)O
InChIInChI=1S/C9H19O4P/c1-2-3-4-5-6-7-8-9-13-14(10,11)12/h5-6H,2-4,7-9H2,1H3,(H2,10,11,12)/b6-5+
InChIKeyZQGDHBLYAUKSJW-AATRIKPKSA-N
XLogP2.62
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Phosphoric acid mono-((E)-tetradec-9-enyl) ester
CID 11197104
Phosphoric acid mono-((E)-dodec-9-enyl) ester
CID 11219269
Phosphoric acid mono-((E)-dec-4-enyl) ester
CID 11276402
Phosphoric acid mono-((E)-tetradec-11-enyl) ester
CID 11312382
2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, 1-(dihydrogen phosphate), (2E,6E)-
CID 10357552
Farnesyl monophosphate
CID 6440220
(2e,6e)-7,11-Dimethyldodeca-2,6,10-Trien-1-Yl Trihydrogen Diphosphate
CID 15818142
Geranyl phosphate
CID 5280394
(2e,6z)-3,7,11-Trimethyldodeca-2,6,10-Trien-1-Yl Dihydrogen Phosphate
CID 21672871
(Z)-3,7-Dimethylocta-2,6-dien-1-yl dihydrogen phosphate
CID 100979319
(E)-1-diethoxyphosphoryloct-2-ene
CID 10444695
3,7,11-Trimethyldodeca-2,6,10-trienyl dihydrogen phosphate
CID 151951

Frequently Asked Questions

What is the IUPAC name of [(E)-non-4-enyl] dihydrogen phosphate?
The IUPAC name of [(E)-non-4-enyl] dihydrogen phosphate (CID 22971761) is [(E)-non-4-enyl] dihydrogen phosphate.
What is the SMILES notation for [(E)-non-4-enyl] dihydrogen phosphate?
The canonical SMILES for [(E)-non-4-enyl] dihydrogen phosphate is CCCC/C=C/CCCOP(=O)(O)O.
What is the InChIKey of [(E)-non-4-enyl] dihydrogen phosphate?
The InChIKey is ZQGDHBLYAUKSJW-AATRIKPKSA-N. The full InChI is InChI=1S/C9H19O4P/c1-2-3-4-5-6-7-8-9-13-14(10,11)12/h5-6H,2-4,7-9H2,1H3,(H2,10,11,12)/b6-5+.
What are the key properties of [(E)-non-4-enyl] dihydrogen phosphate?
[(E)-non-4-enyl] dihydrogen phosphate has a molecular weight of 222.22 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-non-4-enyl] dihydrogen phosphate is sourced from PubChem (CID 22971761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).