2-aminooct-4-ene-1,3-diol

C8H17NO2 — CID 56625558

IUPAC2-aminooct-4-ene-1,3-diol
SMILESCCCC=CC(O)C(N)CO
InChIInChI=1S/C8H17NO2/c1-2-3-4-5-8(11)7(9)6-10/h4-5,7-8,10-11H,2-3,6,9H2,1H3
InChIKeyFIVWOMYSLFZPQF-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.02
Rot. Bonds5

About 2-aminooct-4-ene-1,3-diol

2-aminooct-4-ene-1,3-diol (PubChem CID 56625558) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-aminooct-4-ene-1,3-diol.

Molecular Properties

Compound Name2-aminooct-4-ene-1,3-diol
PubChem CID56625558
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-aminooct-4-ene-1,3-diol
SMILESCCCC=CC(O)C(N)CO
InChIInChI=1S/C8H17NO2/c1-2-3-4-5-8(11)7(9)6-10/h4-5,7-8,10-11H,2-3,6,9H2,1H3
InChIKeyFIVWOMYSLFZPQF-UHFFFAOYSA-N
XLogP0.02
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol
CID 6449795
(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
(2S,3R,4E,8E,10E)-2-aminododeca-4,8,10-triene-1,3-diol
CID 129125807
(2R,3S)-2-amino-9-methyloctadeca-4,8-diene-1,3-diol
CID 91332697
(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
(E)-2-amino-8,8,10-trimethyldodec-4-ene-1,3-diol
CID 89051093
2-aminoethylphosphonic acid;(E)-2-aminooctadec-4-ene-1,3-diol
CID 175557375

Frequently Asked Questions

What is the IUPAC name of 2-aminooct-4-ene-1,3-diol?
The IUPAC name of 2-aminooct-4-ene-1,3-diol (CID 56625558) is 2-aminooct-4-ene-1,3-diol.
What is the SMILES notation for 2-aminooct-4-ene-1,3-diol?
The canonical SMILES for 2-aminooct-4-ene-1,3-diol is CCCC=CC(O)C(N)CO.
What is the InChIKey of 2-aminooct-4-ene-1,3-diol?
The InChIKey is FIVWOMYSLFZPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-3-4-5-8(11)7(9)6-10/h4-5,7-8,10-11H,2-3,6,9H2,1H3.
What are the key properties of 2-aminooct-4-ene-1,3-diol?
2-aminooct-4-ene-1,3-diol has a molecular weight of 159.23 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooct-4-ene-1,3-diol is sourced from PubChem (CID 56625558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).