6-hydroxyiminohexyl acetate

C8H15NO3 — CID 88608680

IUPAC6-hydroxyiminohexyl acetate
SMILESCC(=O)OCCCCCC=NO
InChIInChI=1S/C8H15NO3/c1-8(10)12-7-5-3-2-4-6-9-11/h6,11H,2-5,7H2,1H3
InChIKeyOJZDJRMIOPIMHY-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.57
Rot. Bonds6

About 6-hydroxyiminohexyl acetate

6-hydroxyiminohexyl acetate (PubChem CID 88608680) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 6-hydroxyiminohexyl acetate.

Molecular Properties

Compound Name6-hydroxyiminohexyl acetate
PubChem CID88608680
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name6-hydroxyiminohexyl acetate
SMILESCC(=O)OCCCCCC=NO
InChIInChI=1S/C8H15NO3/c1-8(10)12-7-5-3-2-4-6-9-11/h6,11H,2-5,7H2,1H3
InChIKeyOJZDJRMIOPIMHY-UHFFFAOYSA-N
XLogP1.57
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

pentadec-14-enyl acetate
CID 87443745
nonadec-18-enyl acetate
CID 87443633
20-acetyloxyicos-11-enyl acetate
CID 537116
[(E)-18-acetyloxyoctadec-9-enyl] acetate
CID 11783567
11-acetyloxyundecyl acetate
CID 87784419
hex-5-enyl acetate
CID 537536
16-acetyloxyhexadeca-4,12-dienyl acetate
CID 54570942
[(4E,12E)-16-acetyloxyhexadeca-4,12-dienyl] acetate
CID 23331437
[(E)-8-iodooct-7-enyl] acetate
CID 14157625
tridec-11-enyl acetate
CID 537063
[(E)-tetradec-12-enyl] acetate
CID 5365773
dec-8-enyl acetate
CID 73186998

Frequently Asked Questions

What is the IUPAC name of 6-hydroxyiminohexyl acetate?
The IUPAC name of 6-hydroxyiminohexyl acetate (CID 88608680) is 6-hydroxyiminohexyl acetate.
What is the SMILES notation for 6-hydroxyiminohexyl acetate?
The canonical SMILES for 6-hydroxyiminohexyl acetate is CC(=O)OCCCCCC=NO.
What is the InChIKey of 6-hydroxyiminohexyl acetate?
The InChIKey is OJZDJRMIOPIMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(10)12-7-5-3-2-4-6-9-11/h6,11H,2-5,7H2,1H3.
What are the key properties of 6-hydroxyiminohexyl acetate?
6-hydroxyiminohexyl acetate has a molecular weight of 173.21 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyiminohexyl acetate is sourced from PubChem (CID 88608680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).