N-butyl-N-(2-oxoethyl)butan-1-amine oxide;hafnium;trichloride

C10H21Cl3HfNO2-3 — CID 173268604

IUPACN-butyl-N-(2-oxoethyl)butan-1-amine oxide;hafnium;trichloride
SMILESCCCC[N+]([O-])(CC=O)CCCC.[Cl-].[Cl-].[Cl-].[Hf]
InChIInChI=1S/C10H21NO2.3ClH.Hf/c1-3-5-7-11(13,9-10-12)8-6-4-2;;;;/h10H,3-9H2,1-2H3;3*1H;/p-3
InChIKeyWQRLSMXWDVPXAO-UHFFFAOYSA-K
MW472.13 g/mol
LogP-6.89
Rot. Bonds8

About N-butyl-N-(2-oxoethyl)butan-1-amine oxide;hafnium;trichloride

N-butyl-N-(2-oxoethyl)butan-1-amine oxide;hafnium;trichloride (PubChem CID 173268604) has the molecular formula C10H21Cl3HfNO2-3 and a molecular weight of 472.13 g/mol. Its IUPAC name is N-butyl-N-(2-oxoethyl)butan-1-amine oxide;hafnium;trichloride.

Molecular Properties

Compound NameN-butyl-N-(2-oxoethyl)butan-1-amine oxide;hafnium;trichloride
PubChem CID173268604
Molecular FormulaC10H21Cl3HfNO2-3
Molecular Weight472.13 g/mol
Exact Mass472.01
IUPAC NameN-butyl-N-(2-oxoethyl)butan-1-amine oxide;hafnium;trichloride
SMILESCCCC[N+]([O-])(CC=O)CCCC.[Cl-].[Cl-].[Cl-].[Hf]
InChIInChI=1S/C10H21NO2.3ClH.Hf/c1-3-5-7-11(13,9-10-12)8-6-4-2;;;;/h10H,3-9H2,1-2H3;3*1H;/p-3
InChIKeyWQRLSMXWDVPXAO-UHFFFAOYSA-K
XLogP-6.89
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.13
LogP ≤ 5-6.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

N,N,N',N'-tetrabutyldecane-1,10-diamine oxide
CID 102443929
N,N,N',N'-tetrabutylpentane-1,5-diamine oxide
CID 102443928
didecyl-methyl-(2-oxoethyl)azanium
CID 23124070
hexadecyl-dimethyl-(2-oxoethyl)azanium
CID 100926367
N,N-diethylpentadecan-1-amine oxide
CID 19001167
propanal;propane;yttrium
CID 161083042
N,N-bis(2-chloroethyl)pentan-1-amine oxide
CID 24840966
tributyl(prop-2-enyl)azanium chloride
CID 3024222
gold(3+);tetrabutylazanium;tetrachloride
CID 25141921
trimethyl(2-oxoethyl)azanium chloride
CID 2735510
tetrabutylazanium;chloride;hydrobromide
CID 160850218
bis(palladium(2+));bis(tetrabutylazanium);hexachloride
CID 51000427

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-oxoethyl)butan-1-amine oxide;hafnium;trichloride?
The IUPAC name of N-butyl-N-(2-oxoethyl)butan-1-amine oxide;hafnium;trichloride (CID 173268604) is N-butyl-N-(2-oxoethyl)butan-1-amine oxide;hafnium;trichloride.
What is the SMILES notation for N-butyl-N-(2-oxoethyl)butan-1-amine oxide;hafnium;trichloride?
The canonical SMILES for N-butyl-N-(2-oxoethyl)butan-1-amine oxide;hafnium;trichloride is CCCC[N+]([O-])(CC=O)CCCC.[Cl-].[Cl-].[Cl-].[Hf].
What is the InChIKey of N-butyl-N-(2-oxoethyl)butan-1-amine oxide;hafnium;trichloride?
The InChIKey is WQRLSMXWDVPXAO-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H21NO2.3ClH.Hf/c1-3-5-7-11(13,9-10-12)8-6-4-2;;;;/h10H,3-9H2,1-2H3;3*1H;/p-3.
What are the key properties of N-butyl-N-(2-oxoethyl)butan-1-amine oxide;hafnium;trichloride?
N-butyl-N-(2-oxoethyl)butan-1-amine oxide;hafnium;trichloride has a molecular weight of 472.13 g/mol, XLogP of -6.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-oxoethyl)butan-1-amine oxide;hafnium;trichloride is sourced from PubChem (CID 173268604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).