non-8-enyl dihydrogen phosphate

C9H19O4P — CID 87757532

IUPACnon-8-enyl dihydrogen phosphate
SMILESC=CCCCCCCCOP(=O)(O)O
InChIInChI=1S/C9H19O4P/c1-2-3-4-5-6-7-8-9-13-14(10,11)12/h2H,1,3-9H2,(H2,10,11,12)
InChIKeyDOYZISNYBYHGRO-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.62
Rot. Bonds9

About non-8-enyl dihydrogen phosphate

non-8-enyl dihydrogen phosphate (PubChem CID 87757532) has the molecular formula C9H19O4P and a molecular weight of 222.22 g/mol. Its IUPAC name is non-8-enyl dihydrogen phosphate.

Molecular Properties

Compound Namenon-8-enyl dihydrogen phosphate
PubChem CID87757532
Molecular FormulaC9H19O4P
Molecular Weight222.22 g/mol
Exact Mass222.10
IUPAC Namenon-8-enyl dihydrogen phosphate
SMILESC=CCCCCCCCOP(=O)(O)O
InChIInChI=1S/C9H19O4P/c1-2-3-4-5-6-7-8-9-13-14(10,11)12/h2H,1,3-9H2,(H2,10,11,12)
InChIKeyDOYZISNYBYHGRO-UHFFFAOYSA-N
XLogP2.62
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
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'}

Analyze non-8-enyl dihydrogen phosphate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of non-8-enyl dihydrogen phosphate?
The IUPAC name of non-8-enyl dihydrogen phosphate (CID 87757532) is non-8-enyl dihydrogen phosphate.
What is the SMILES notation for non-8-enyl dihydrogen phosphate?
The canonical SMILES for non-8-enyl dihydrogen phosphate is C=CCCCCCCCOP(=O)(O)O.
What is the InChIKey of non-8-enyl dihydrogen phosphate?
The InChIKey is DOYZISNYBYHGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O4P/c1-2-3-4-5-6-7-8-9-13-14(10,11)12/h2H,1,3-9H2,(H2,10,11,12).
What are the key properties of non-8-enyl dihydrogen phosphate?
non-8-enyl dihydrogen phosphate has a molecular weight of 222.22 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for non-8-enyl dihydrogen phosphate is sourced from PubChem (CID 87757532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).