[(Z)-hexadec-9-enyl] dihydrogen phosphate

C16H33O4P — CID 122597985

IUPAC[(Z)-hexadec-9-enyl] dihydrogen phosphate
SMILESCCCCCC/C=C\CCCCCCCCOP(=O)(O)O
InChIInChI=1S/C16H33O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h7-8H,2-6,9-16H2,1H3,(H2,17,18,19)/b8-7-
InChIKeyJLDUYUMFDHGEEJ-FPLPWBNLSA-N
MW320.41 g/mol
LogP5.35
Rot. Bonds15

About [(Z)-hexadec-9-enyl] dihydrogen phosphate

[(Z)-hexadec-9-enyl] dihydrogen phosphate (PubChem CID 122597985) has the molecular formula C16H33O4P and a molecular weight of 320.41 g/mol. Its IUPAC name is [(Z)-hexadec-9-enyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(Z)-hexadec-9-enyl] dihydrogen phosphate
PubChem CID122597985
Molecular FormulaC16H33O4P
Molecular Weight320.41 g/mol
Exact Mass320.21
IUPAC Name[(Z)-hexadec-9-enyl] dihydrogen phosphate
SMILESCCCCCC/C=C\CCCCCCCCOP(=O)(O)O
InChIInChI=1S/C16H33O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h7-8H,2-6,9-16H2,1H3,(H2,17,18,19)/b8-7-
InChIKeyJLDUYUMFDHGEEJ-FPLPWBNLSA-N
XLogP5.35
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.41
LogP ≤ 55.35
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 [(Z)-hexadec-9-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

Related Compounds

(Z)-octadec-9-enoic acid;[(Z)-octadec-9-enyl] dihydrogen phosphate
CID 157438661
octatriacontyl dihydrogen phosphate
CID 140979287
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
iron;octadecyl dihydrogen phosphate
CID 175059517
hexyl dihydrogen phosphate;neodymium
CID 174801976
dodecyl dihydrogen phosphate;indigane
CID 173026750
azane;octadecyl dihydrogen phosphate
CID 87905459
CID 170842594
CID 170842594
CID 170843971
CID 170843971
alumane;tridecyl dihydrogen phosphate
CID 173322009

Frequently Asked Questions

What is the IUPAC name of [(Z)-hexadec-9-enyl] dihydrogen phosphate?
The IUPAC name of [(Z)-hexadec-9-enyl] dihydrogen phosphate (CID 122597985) is [(Z)-hexadec-9-enyl] dihydrogen phosphate.
What is the SMILES notation for [(Z)-hexadec-9-enyl] dihydrogen phosphate?
The canonical SMILES for [(Z)-hexadec-9-enyl] dihydrogen phosphate is CCCCCC/C=C\CCCCCCCCOP(=O)(O)O.
What is the InChIKey of [(Z)-hexadec-9-enyl] dihydrogen phosphate?
The InChIKey is JLDUYUMFDHGEEJ-FPLPWBNLSA-N. The full InChI is InChI=1S/C16H33O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h7-8H,2-6,9-16H2,1H3,(H2,17,18,19)/b8-7-.
What are the key properties of [(Z)-hexadec-9-enyl] dihydrogen phosphate?
[(Z)-hexadec-9-enyl] dihydrogen phosphate has a molecular weight of 320.41 g/mol, XLogP of 5.35, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hexadec-9-enyl] dihydrogen phosphate is sourced from PubChem (CID 122597985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).