[(8E)-2,4,10-trihydroxyundeca-8,10-dienyl]azanium

C11H22NO3+ — CID 58468451

IUPAC[(8E)-2,4,10-trihydroxyundeca-8,10-dienyl]azanium
SMILESC=C(O)/C=C/CCCC(O)CC(O)C[NH3+]
InChIInChI=1S/C11H21NO3/c1-9(13)5-3-2-4-6-10(14)7-11(15)8-12/h3,5,10-11,13-15H,1-2,4,6-8,12H2/p+1/b5-3+
InChIKeyXISFVTRLRSCLFD-HWKANZROSA-O
MW216.30 g/mol
LogP0.14
Rot. Bonds8

About [(8E)-2,4,10-trihydroxyundeca-8,10-dienyl]azanium

[(8E)-2,4,10-trihydroxyundeca-8,10-dienyl]azanium (PubChem CID 58468451) has the molecular formula C11H22NO3+ and a molecular weight of 216.30 g/mol. Its IUPAC name is [(8E)-2,4,10-trihydroxyundeca-8,10-dienyl]azanium.

Molecular Properties

Compound Name[(8E)-2,4,10-trihydroxyundeca-8,10-dienyl]azanium
PubChem CID58468451
Molecular FormulaC11H22NO3+
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name[(8E)-2,4,10-trihydroxyundeca-8,10-dienyl]azanium
SMILESC=C(O)/C=C/CCCC(O)CC(O)C[NH3+]
InChIInChI=1S/C11H21NO3/c1-9(13)5-3-2-4-6-10(14)7-11(15)8-12/h3,5,10-11,13-15H,1-2,4,6-8,12H2/p+1/b5-3+
InChIKeyXISFVTRLRSCLFD-HWKANZROSA-O
XLogP0.14
TPSA88.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(8E)-2,4,10-trihydroxyundeca-8,10-dienyl]azanium 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

(2S,3R,11E)-2-aminotetradeca-11,13-dien-3-ol
CID 14756406
2-Amino-1-cyclooct-1-enyl-ethanol
CID 44272154
(2R,3S,5Z,9E,11Z,14Z,17Z,20Z,28S,29R)-2,29-diaminotriaconta-5,9,11,14,17,20-hexaene-3,8,28-triol
CID 101465289
(2S,3R,5Z,8R,9E,11Z,14Z,17Z,20Z,28R,29S)-2,29-diaminotriaconta-5,9,11,14,17,20-hexaene-3,8,28-triol
CID 162928861
(4E,6E,d14:2) sphingosine
CID 42608347
Lignoceryl-sphingosine
CID 129671407
(E,14S,15R)-14-aminotriacont-16-ene-13,15-diol
CID 129688338
omega-Hydroxy sphingosine
CID 145787611
2-Amino-11,13-tetradecadien-3-ol
CID 72738941
Oleyl sphingosine
CID 129723131
Cerebronyl sphingosine
CID 129726213
2-Amino-1-(cycloocten-1-yl)ethanol
CID 54016638

Frequently Asked Questions

What is the IUPAC name of [(8E)-2,4,10-trihydroxyundeca-8,10-dienyl]azanium?
The IUPAC name of [(8E)-2,4,10-trihydroxyundeca-8,10-dienyl]azanium (CID 58468451) is [(8E)-2,4,10-trihydroxyundeca-8,10-dienyl]azanium.
What is the SMILES notation for [(8E)-2,4,10-trihydroxyundeca-8,10-dienyl]azanium?
The canonical SMILES for [(8E)-2,4,10-trihydroxyundeca-8,10-dienyl]azanium is C=C(O)/C=C/CCCC(O)CC(O)C[NH3+].
What is the InChIKey of [(8E)-2,4,10-trihydroxyundeca-8,10-dienyl]azanium?
The InChIKey is XISFVTRLRSCLFD-HWKANZROSA-O. The full InChI is InChI=1S/C11H21NO3/c1-9(13)5-3-2-4-6-10(14)7-11(15)8-12/h3,5,10-11,13-15H,1-2,4,6-8,12H2/p+1/b5-3+.
What are the key properties of [(8E)-2,4,10-trihydroxyundeca-8,10-dienyl]azanium?
[(8E)-2,4,10-trihydroxyundeca-8,10-dienyl]azanium has a molecular weight of 216.30 g/mol, XLogP of 0.14, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(8E)-2,4,10-trihydroxyundeca-8,10-dienyl]azanium is sourced from PubChem (CID 58468451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).