1-aminooctadec-4-ene-1,3-diol

C18H37NO2 — CID 154508434

IUPAC1-aminooctadec-4-ene-1,3-diol
SMILESCCCCCCCCCCCCCC=CC(O)CC(N)O
InChIInChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)16-18(19)21/h14-15,17-18,20-21H,2-13,16,19H2,1H3
InChIKeyAXPJUJNMUAUSQV-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.27
Rot. Bonds15

About 1-aminooctadec-4-ene-1,3-diol

1-aminooctadec-4-ene-1,3-diol (PubChem CID 154508434) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 1-aminooctadec-4-ene-1,3-diol.

Molecular Properties

Compound Name1-aminooctadec-4-ene-1,3-diol
PubChem CID154508434
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name1-aminooctadec-4-ene-1,3-diol
SMILESCCCCCCCCCCCCCC=CC(O)CC(N)O
InChIInChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)16-18(19)21/h14-15,17-18,20-21H,2-13,16,19H2,1H3
InChIKeyAXPJUJNMUAUSQV-UHFFFAOYSA-N
XLogP4.27
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z,4R)-2-methyldodec-5-en-4-ol
CID 14961442
(E)-1-aminodec-3-en-2-ol
CID 101275263
(E,2S)-dec-3-ene-1,2-diol
CID 101192698
henicos-7-en-6-ol
CID 91409967
undec-5-en-4-ol
CID 73071371
(E,2R,3R)-1,2-diaminooctadec-4-ene-1,3-diol
CID 140541829
undec-3-en-2-ol
CID 174515693
(E,2S,3R)-2-amino-1-fluorooctadec-4-en-3-ol
CID 87803016
(2S,3R)-2-aminopentadec-4-ene-1,3-diol
CID 171149174
(E,2S,3R)-2-aminopentadec-4-ene-1,3-diol
CID 91886102
(E,2S)-2-aminopentadec-4-ene-1,3-diol
CID 91746220
(E)-octadec-6-ene-1,8-diol
CID 10265918

Frequently Asked Questions

What is the IUPAC name of 1-aminooctadec-4-ene-1,3-diol?
The IUPAC name of 1-aminooctadec-4-ene-1,3-diol (CID 154508434) is 1-aminooctadec-4-ene-1,3-diol.
What is the SMILES notation for 1-aminooctadec-4-ene-1,3-diol?
The canonical SMILES for 1-aminooctadec-4-ene-1,3-diol is CCCCCCCCCCCCCC=CC(O)CC(N)O.
What is the InChIKey of 1-aminooctadec-4-ene-1,3-diol?
The InChIKey is AXPJUJNMUAUSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)16-18(19)21/h14-15,17-18,20-21H,2-13,16,19H2,1H3.
What are the key properties of 1-aminooctadec-4-ene-1,3-diol?
1-aminooctadec-4-ene-1,3-diol has a molecular weight of 299.50 g/mol, XLogP of 4.27, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooctadec-4-ene-1,3-diol is sourced from PubChem (CID 154508434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).