ethanol;hexadecyl dihydrogen phosphate

C18H41O5P — CID 174523308

IUPACethanol;hexadecyl dihydrogen phosphate
SMILESCCCCCCCCCCCCCCCCOP(=O)(O)O.CCO
InChIInChI=1S/C16H35O4P.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;1-2-3/h2-16H2,1H3,(H2,17,18,19);3H,2H2,1H3
InChIKeyKPMAGGRTZZVDCU-UHFFFAOYSA-N
MW368.50 g/mol
LogP5.58
Rot. Bonds16

About ethanol;hexadecyl dihydrogen phosphate

ethanol;hexadecyl dihydrogen phosphate (PubChem CID 174523308) has the molecular formula C18H41O5P and a molecular weight of 368.50 g/mol. Its IUPAC name is ethanol;hexadecyl dihydrogen phosphate.

Molecular Properties

Compound Nameethanol;hexadecyl dihydrogen phosphate
PubChem CID174523308
Molecular FormulaC18H41O5P
Molecular Weight368.50 g/mol
Exact Mass368.27
IUPAC Nameethanol;hexadecyl dihydrogen phosphate
SMILESCCCCCCCCCCCCCCCCOP(=O)(O)O.CCO
InChIInChI=1S/C16H35O4P.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;1-2-3/h2-16H2,1H3,(H2,17,18,19);3H,2H2,1H3
InChIKeyKPMAGGRTZZVDCU-UHFFFAOYSA-N
XLogP5.58
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze ethanol;hexadecyl 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

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
CID 170842594
CID 170842594
azane;octadecyl dihydrogen phosphate
CID 87905459
CID 170843971
CID 170843971
alumane;tridecyl dihydrogen phosphate
CID 173322009
sodium;hydride;tetradecyl dihydrogen phosphate
CID 173022959

Frequently Asked Questions

What is the IUPAC name of ethanol;hexadecyl dihydrogen phosphate?
The IUPAC name of ethanol;hexadecyl dihydrogen phosphate (CID 174523308) is ethanol;hexadecyl dihydrogen phosphate.
What is the SMILES notation for ethanol;hexadecyl dihydrogen phosphate?
The canonical SMILES for ethanol;hexadecyl dihydrogen phosphate is CCCCCCCCCCCCCCCCOP(=O)(O)O.CCO.
What is the InChIKey of ethanol;hexadecyl dihydrogen phosphate?
The InChIKey is KPMAGGRTZZVDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35O4P.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;1-2-3/h2-16H2,1H3,(H2,17,18,19);3H,2H2,1H3.
What are the key properties of ethanol;hexadecyl dihydrogen phosphate?
ethanol;hexadecyl dihydrogen phosphate has a molecular weight of 368.50 g/mol, XLogP of 5.58, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;hexadecyl dihydrogen phosphate is sourced from PubChem (CID 174523308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).