[(E)-non-1-enyl] dihydrogen phosphate

C9H19O4P — CID 19800808

IUPAC[(E)-non-1-enyl] dihydrogen phosphate
SMILESCCCCCCC/C=C/OP(=O)(O)O
InChIInChI=1S/C9H19O4P/c1-2-3-4-5-6-7-8-9-13-14(10,11)12/h8-9H,2-7H2,1H3,(H2,10,11,12)/b9-8+
InChIKeySOJIKGUJDBDPQI-CMDGGOBGSA-N
MW222.22 g/mol
LogP2.97
Rot. Bonds8

About [(E)-non-1-enyl] dihydrogen phosphate

[(E)-non-1-enyl] dihydrogen phosphate (PubChem CID 19800808) has the molecular formula C9H19O4P and a molecular weight of 222.22 g/mol. Its IUPAC name is [(E)-non-1-enyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(E)-non-1-enyl] dihydrogen phosphate
PubChem CID19800808
Molecular FormulaC9H19O4P
Molecular Weight222.22 g/mol
Exact Mass222.10
IUPAC Name[(E)-non-1-enyl] dihydrogen phosphate
SMILESCCCCCCC/C=C/OP(=O)(O)O
InChIInChI=1S/C9H19O4P/c1-2-3-4-5-6-7-8-9-13-14(10,11)12/h8-9H,2-7H2,1H3,(H2,10,11,12)/b9-8+
InChIKeySOJIKGUJDBDPQI-CMDGGOBGSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethoxyethane;[(E)-octadec-1-enyl] dihydrogen phosphate
CID 88647688
[(E)-hex-1-enyl] dihydrogen phosphate
CID 19800837
bis(hept-1-enyl) hydrogen phosphate;bis(non-1-enyl) hydrogen phosphate;bis(oct-1-enyl) hydrogen phosphate
CID 160525345
bis(hept-1-enyl) hydrogen phosphate
CID 54526218
tris[(E)-undec-1-enyl] phosphate
CID 88689408
tris(tetradec-1-enyl) phosphate
CID 139967616
[(E)-hexadec-1-enyl] [(E)-hexadec-2-enyl] hydrogen phosphate
CID 6436967
2-[bis(2-hydroxyethyl)amino]ethanol;bis(tetradec-1-enyl) hydrogen phosphate
CID 173390919
1-[hydroxy(nonadec-1-enoxy)phosphoryl]propyl-trimethylazanium
CID 91569615
[(Z)-hexadec-9-enyl] dihydrogen phosphate
CID 122597985
tris[(E)-hex-1-enyl] phosphate
CID 141190497
2-[hydroxy(non-1-enoxy)phosphoryl]oxyethyl-trimethylazanium
CID 87338323

Frequently Asked Questions

What is the IUPAC name of [(E)-non-1-enyl] dihydrogen phosphate?
The IUPAC name of [(E)-non-1-enyl] dihydrogen phosphate (CID 19800808) is [(E)-non-1-enyl] dihydrogen phosphate.
What is the SMILES notation for [(E)-non-1-enyl] dihydrogen phosphate?
The canonical SMILES for [(E)-non-1-enyl] dihydrogen phosphate is CCCCCCC/C=C/OP(=O)(O)O.
What is the InChIKey of [(E)-non-1-enyl] dihydrogen phosphate?
The InChIKey is SOJIKGUJDBDPQI-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H19O4P/c1-2-3-4-5-6-7-8-9-13-14(10,11)12/h8-9H,2-7H2,1H3,(H2,10,11,12)/b9-8+.
What are the key properties of [(E)-non-1-enyl] dihydrogen phosphate?
[(E)-non-1-enyl] dihydrogen phosphate has a molecular weight of 222.22 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-non-1-enyl] dihydrogen phosphate is sourced from PubChem (CID 19800808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).