1-aminooct-4-ene-1,8-diol

C8H17NO2 — CID 57208307

IUPAC1-aminooct-4-ene-1,8-diol
SMILESNC(O)CCC=CCCCO
InChIInChI=1S/C8H17NO2/c9-8(11)6-4-2-1-3-5-7-10/h1-2,8,10-11H,3-7,9H2
InChIKeyCQDKCFSGTYGXHE-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.37
Rot. Bonds6

About 1-aminooct-4-ene-1,8-diol

1-aminooct-4-ene-1,8-diol (PubChem CID 57208307) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-aminooct-4-ene-1,8-diol.

Molecular Properties

Compound Name1-aminooct-4-ene-1,8-diol
PubChem CID57208307
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-aminooct-4-ene-1,8-diol
SMILESNC(O)CCC=CCCCO
InChIInChI=1S/C8H17NO2/c9-8(11)6-4-2-1-3-5-7-10/h1-2,8,10-11H,3-7,9H2
InChIKeyCQDKCFSGTYGXHE-UHFFFAOYSA-N
XLogP0.37
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.37
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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Frequently Asked Questions

What is the IUPAC name of 1-aminooct-4-ene-1,8-diol?
The IUPAC name of 1-aminooct-4-ene-1,8-diol (CID 57208307) is 1-aminooct-4-ene-1,8-diol.
What is the SMILES notation for 1-aminooct-4-ene-1,8-diol?
The canonical SMILES for 1-aminooct-4-ene-1,8-diol is NC(O)CCC=CCCCO.
What is the InChIKey of 1-aminooct-4-ene-1,8-diol?
The InChIKey is CQDKCFSGTYGXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c9-8(11)6-4-2-1-3-5-7-10/h1-2,8,10-11H,3-7,9H2.
What are the key properties of 1-aminooct-4-ene-1,8-diol?
1-aminooct-4-ene-1,8-diol has a molecular weight of 159.23 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooct-4-ene-1,8-diol is sourced from PubChem (CID 57208307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).