Citronellal oxime

C10H19NO — CID 6299203

IUPAC(NZ)-N-(3,7-dimethyloct-6-enylidene)hydroxylamine
SMILESCC(CCC=C(C)C)C/C=N\O
InChIInChI=1S/C10H19NO/c1-9(2)5-4-6-10(3)7-8-11-12/h5,8,10,12H,4,6-7H2,1-3H3/b11-8-
InChIKeyJUCCIEVMICHZPK-FLIBITNWSA-N
MW169.26 g/mol
LogP3.20
Rot. Bonds5

About Citronellal oxime

Citronellal oxime (PubChem CID 6299203) has the molecular formula C10H19NO and a molecular weight of 169.26 g/mol. Its IUPAC name is (NZ)-N-(3,7-dimethyloct-6-enylidene)hydroxylamine.

Molecular Properties

Compound NameCitronellal oxime
PubChem CID6299203
Molecular FormulaC10H19NO
Molecular Weight169.26 g/mol
Exact Mass169.15
IUPAC Name(NZ)-N-(3,7-dimethyloct-6-enylidene)hydroxylamine
SMILESCC(CCC=C(C)C)C/C=N\O
InChIInChI=1S/C10H19NO/c1-9(2)5-4-6-10(3)7-8-11-12/h5,8,10,12H,4,6-7H2,1-3H3/b11-8-
InChIKeyJUCCIEVMICHZPK-FLIBITNWSA-N
XLogP3.20
TPSA32.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity157

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 Citronellal oxime?
The IUPAC name of Citronellal oxime (CID 6299203) is (NZ)-N-(3,7-dimethyloct-6-enylidene)hydroxylamine.
What is the SMILES notation for Citronellal oxime?
The canonical SMILES for Citronellal oxime is CC(CCC=C(C)C)C/C=N\O.
What is the InChIKey of Citronellal oxime?
The InChIKey is JUCCIEVMICHZPK-FLIBITNWSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)5-4-6-10(3)7-8-11-12/h5,8,10,12H,4,6-7H2,1-3H3/b11-8-.
What are the key properties of Citronellal oxime?
Citronellal oxime has a molecular weight of 169.26 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Citronellal oxime is sourced from PubChem (CID 6299203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).