[(10Z)-10-hydroxyimino-9-oxodecyl]-trimethylazanium

C13H27N2O2+ — CID 6412547

IUPAC[(10Z)-10-hydroxyimino-9-oxodecyl]-trimethylazanium
SMILESC[N+](C)(C)CCCCCCCCC(=O)/C=N\O
InChIInChI=1S/C13H26N2O2/c1-15(2,3)11-9-7-5-4-6-8-10-13(16)12-14-17/h12H,4-11H2,1-3H3/p+1
InChIKeyOCYHGCKYDYHEHK-UHFFFAOYSA-O
MW243.37 g/mol
LogP2.45
Rot. Bonds10

About [(10Z)-10-hydroxyimino-9-oxodecyl]-trimethylazanium

[(10Z)-10-hydroxyimino-9-oxodecyl]-trimethylazanium (PubChem CID 6412547) has the molecular formula C13H27N2O2+ and a molecular weight of 243.37 g/mol. Its IUPAC name is [(10Z)-10-hydroxyimino-9-oxodecyl]-trimethylazanium.

Molecular Properties

Compound Name[(10Z)-10-hydroxyimino-9-oxodecyl]-trimethylazanium
PubChem CID6412547
Molecular FormulaC13H27N2O2+
Molecular Weight243.37 g/mol
Exact Mass243.21
IUPAC Name[(10Z)-10-hydroxyimino-9-oxodecyl]-trimethylazanium
SMILESC[N+](C)(C)CCCCCCCCC(=O)/C=N\O
InChIInChI=1S/C13H26N2O2/c1-15(2,3)11-9-7-5-4-6-8-10-13(16)12-14-17/h12H,4-11H2,1-3H3/p+1
InChIKeyOCYHGCKYDYHEHK-UHFFFAOYSA-O
XLogP2.45
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[(12E)-12-oxidoimino-11-oxododecyl]azanium
CID 131666135
(1E)-10-(dimethylamino)-1-hydroxyiminodecan-2-one
CID 17027005
6-[[(2E)-2-hydroxyiminoacetyl]amino]hexyl-trimethylazanium
CID 6866633
6-carboxyhexyl(trimethyl)azanium
CID 70691026
(14-chloro-14-oxotetradecyl)-trimethylazanium
CID 177226605
14-(trimethylazaniumyl)tetradecanoate
CID 172851889
16-(trimethylazaniumyl)hexadecanoate
CID 172771890
1-hydroxyiminopentan-2-one
CID 6410471
trimethyl-[11-oxo-11-(2-sulfanylethylamino)undecyl]azanium
CID 101009162
(6-methoxy-6-oxohexyl)-trimethylazanium
CID 139671551
trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
(1E)-5-(diethylamino)-1-hydroxyiminopentan-2-one;hydrochloride
CID 172954738

Frequently Asked Questions

What is the IUPAC name of [(10Z)-10-hydroxyimino-9-oxodecyl]-trimethylazanium?
The IUPAC name of [(10Z)-10-hydroxyimino-9-oxodecyl]-trimethylazanium (CID 6412547) is [(10Z)-10-hydroxyimino-9-oxodecyl]-trimethylazanium.
What is the SMILES notation for [(10Z)-10-hydroxyimino-9-oxodecyl]-trimethylazanium?
The canonical SMILES for [(10Z)-10-hydroxyimino-9-oxodecyl]-trimethylazanium is C[N+](C)(C)CCCCCCCCC(=O)/C=N\O.
What is the InChIKey of [(10Z)-10-hydroxyimino-9-oxodecyl]-trimethylazanium?
The InChIKey is OCYHGCKYDYHEHK-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H26N2O2/c1-15(2,3)11-9-7-5-4-6-8-10-13(16)12-14-17/h12H,4-11H2,1-3H3/p+1.
What are the key properties of [(10Z)-10-hydroxyimino-9-oxodecyl]-trimethylazanium?
[(10Z)-10-hydroxyimino-9-oxodecyl]-trimethylazanium has a molecular weight of 243.37 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(10Z)-10-hydroxyimino-9-oxodecyl]-trimethylazanium is sourced from PubChem (CID 6412547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).