6-aminooxyoct-6-en-1-ol

C8H17NO2 — CID 118213984

IUPAC6-aminooxyoct-6-en-1-ol
SMILESCC=C(CCCCCO)ON
InChIInChI=1S/C8H17NO2/c1-2-8(11-9)6-4-3-5-7-10/h2,10H,3-7,9H2,1H3
InChIKeyGGRMNJRSRDVIAP-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.33
Rot. Bonds6

About 6-aminooxyoct-6-en-1-ol

6-aminooxyoct-6-en-1-ol (PubChem CID 118213984) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 6-aminooxyoct-6-en-1-ol.

Molecular Properties

Compound Name6-aminooxyoct-6-en-1-ol
PubChem CID118213984
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name6-aminooxyoct-6-en-1-ol
SMILESCC=C(CCCCCO)ON
InChIInChI=1S/C8H17NO2/c1-2-8(11-9)6-4-3-5-7-10/h2,10H,3-7,9H2,1H3
InChIKeyGGRMNJRSRDVIAP-UHFFFAOYSA-N
XLogP1.33
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.33
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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2-ethylidenehexane-1,6-diol
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trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
tricosane-1,23-diol
CID 25144332
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol
CID 142777284

Frequently Asked Questions

What is the IUPAC name of 6-aminooxyoct-6-en-1-ol?
The IUPAC name of 6-aminooxyoct-6-en-1-ol (CID 118213984) is 6-aminooxyoct-6-en-1-ol.
What is the SMILES notation for 6-aminooxyoct-6-en-1-ol?
The canonical SMILES for 6-aminooxyoct-6-en-1-ol is CC=C(CCCCCO)ON.
What is the InChIKey of 6-aminooxyoct-6-en-1-ol?
The InChIKey is GGRMNJRSRDVIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-8(11-9)6-4-3-5-7-10/h2,10H,3-7,9H2,1H3.
What are the key properties of 6-aminooxyoct-6-en-1-ol?
6-aminooxyoct-6-en-1-ol has a molecular weight of 159.23 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminooxyoct-6-en-1-ol is sourced from PubChem (CID 118213984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).