7-hydroxyiminooctan-1-ol

C8H17NO2 — CID 71382138

IUPAC7-hydroxyiminooctan-1-ol
SMILESCC(CCCCCCO)=NO
InChIInChI=1S/C8H17NO2/c1-8(9-11)6-4-2-3-5-7-10/h10-11H,2-7H2,1H3
InChIKeyKKARTNRLRKLHEO-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.78
Rot. Bonds6

About 7-hydroxyiminooctan-1-ol

7-hydroxyiminooctan-1-ol (PubChem CID 71382138) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 7-hydroxyiminooctan-1-ol.

Molecular Properties

Compound Name7-hydroxyiminooctan-1-ol
PubChem CID71382138
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name7-hydroxyiminooctan-1-ol
SMILESCC(CCCCCCO)=NO
InChIInChI=1S/C8H17NO2/c1-8(9-11)6-4-2-3-5-7-10/h10-11H,2-7H2,1H3
InChIKeyKKARTNRLRKLHEO-UHFFFAOYSA-N
XLogP1.78
TPSA52.82 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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxyiminooctan-1-ol?
The IUPAC name of 7-hydroxyiminooctan-1-ol (CID 71382138) is 7-hydroxyiminooctan-1-ol.
What is the SMILES notation for 7-hydroxyiminooctan-1-ol?
The canonical SMILES for 7-hydroxyiminooctan-1-ol is CC(CCCCCCO)=NO.
What is the InChIKey of 7-hydroxyiminooctan-1-ol?
The InChIKey is KKARTNRLRKLHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(9-11)6-4-2-3-5-7-10/h10-11H,2-7H2,1H3.
What are the key properties of 7-hydroxyiminooctan-1-ol?
7-hydroxyiminooctan-1-ol has a molecular weight of 159.23 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxyiminooctan-1-ol is sourced from PubChem (CID 71382138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).