(4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol

C18H35NO2 — CID 6449795

IUPAC(4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol
SMILESCCC/C=C\CCCCCCCC/C=C/C(O)C(N)CO
InChIInChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h4-5,14-15,17-18,20-21H,2-3,6-13,16,19H2,1H3/b5-4-,15-14+
InChIKeyKWDXKYNWAKMLKK-YQMRQDNGSA-N
MW297.48 g/mol
LogP3.70
Rot. Bonds14

About (4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol

(4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol (PubChem CID 6449795) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is (4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol.

Molecular Properties

Compound Name(4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol
PubChem CID6449795
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name(4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol
SMILESCCC/C=C\CCCCCCCC/C=C/C(O)C(N)CO
InChIInChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h4-5,14-15,17-18,20-21H,2-3,6-13,16,19H2,1H3/b5-4-,15-14+
InChIKeyKWDXKYNWAKMLKK-YQMRQDNGSA-N
XLogP3.70
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol with MolForge

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Related Compounds

(2S,3R,4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol
CID 42608343
(2S,3R)-2-aminopentadec-4-ene-1,3-diol
CID 171149174
(E,2S,3R)-2-aminopentadec-4-ene-1,3-diol
CID 91886102
(E)-2-aminoheptadec-4-ene-1,3-diol
CID 14767873
(E,2S)-2-aminopentadec-4-ene-1,3-diol
CID 91746220
2-aminooct-4-ene-1,3-diol
CID 56625558
(E,2S,3R)-2-amino-15-methylhexadec-4-ene-1,3-diol
CID 42608345
(2S,3S,4E,6E)-2-aminooctadeca-4,6-diene-1,3-diol
CID 42608376
2-aminoethylphosphonic acid;(E)-2-aminooctadec-4-ene-1,3-diol
CID 175557375
(E,2S,3R)-2-amino-1-fluorooctadec-4-en-3-ol
CID 87803016
(2S,3R)-2-aminooctadecane-1,3-diol;(2S,3S,4R)-2-aminooctadecane-1,3,4-triol;(E,2S,3R)-2-aminooctadec-4-ene-1,3-diol;(E,2S,3R,6R)-2-aminooctadec-4-ene-1,3,6-triol
CID 159496210
(2R,3S)-2-amino-9-methyloctadeca-4,8-diene-1,3-diol
CID 91332697

Frequently Asked Questions

What is the IUPAC name of (4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol?
The IUPAC name of (4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol (CID 6449795) is (4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol.
What is the SMILES notation for (4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol?
The canonical SMILES for (4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol is CCC/C=C\CCCCCCCC/C=C/C(O)C(N)CO.
What is the InChIKey of (4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol?
The InChIKey is KWDXKYNWAKMLKK-YQMRQDNGSA-N. The full InChI is InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h4-5,14-15,17-18,20-21H,2-3,6-13,16,19H2,1H3/b5-4-,15-14+.
What are the key properties of (4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol?
(4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol has a molecular weight of 297.48 g/mol, XLogP of 3.70, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol is sourced from PubChem (CID 6449795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).