diethyl-(2-nitrophenoxy)alumane;hydrochloride

C10H15AlClNO3 — CID 174261460

IUPACdiethyl-(2-nitrophenoxy)alumane;hydrochloride
SMILESCC[Al](CC)Oc1ccccc1[N+](=O)[O-].Cl
InChIInChI=1S/C6H5NO3.2C2H5.Al.ClH/c8-6-4-2-1-3-5(6)7(9)10;2*1-2;;/h1-4,8H;2*1H2,2H3;;1H/q;;;+1;/p-1
InChIKeySSHTWMMBMBHJID-UHFFFAOYSA-M
MW259.67 g/mol
LogP3.43
Rot. Bonds5

About diethyl-(2-nitrophenoxy)alumane;hydrochloride

diethyl-(2-nitrophenoxy)alumane;hydrochloride (PubChem CID 174261460) has the molecular formula C10H15AlClNO3 and a molecular weight of 259.67 g/mol. Its IUPAC name is diethyl-(2-nitrophenoxy)alumane;hydrochloride.

Molecular Properties

Compound Namediethyl-(2-nitrophenoxy)alumane;hydrochloride
PubChem CID174261460
Molecular FormulaC10H15AlClNO3
Molecular Weight259.67 g/mol
Exact Mass259.06
IUPAC Namediethyl-(2-nitrophenoxy)alumane;hydrochloride
SMILESCC[Al](CC)Oc1ccccc1[N+](=O)[O-].Cl
InChIInChI=1S/C6H5NO3.2C2H5.Al.ClH/c8-6-4-2-1-3-5(6)7(9)10;2*1-2;;/h1-4,8H;2*1H2,2H3;;1H/q;;;+1;/p-1
InChIKeySSHTWMMBMBHJID-UHFFFAOYSA-M
XLogP3.43
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.67
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
bicyclo[2.2.0]hexa-1,3,5-triene;1-ethoxy-2-nitrobenzene
CID 175518367
1-(2-ethoxyethoxy)-2-nitrobenzene
CID 23347822
CID 174580034
CID 174580034
1-[ethoxy(methyl)phosphoryl]oxy-2-nitrobenzene
CID 87411362
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 15105139
1-(2-nitrophenoxy)-2-propylbenzene
CID 38113680
1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
CID 2748735
1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 2283926
ethoxy (2-nitrophenyl) carbonate
CID 88781671
1-[4-(4-ethoxyphenoxy)butoxy]-2-nitrobenzene
CID 2899468
1-(3,3-dimethylbutoxy)-2-nitrobenzene
CID 112827923

Frequently Asked Questions

What is the IUPAC name of diethyl-(2-nitrophenoxy)alumane;hydrochloride?
The IUPAC name of diethyl-(2-nitrophenoxy)alumane;hydrochloride (CID 174261460) is diethyl-(2-nitrophenoxy)alumane;hydrochloride.
What is the SMILES notation for diethyl-(2-nitrophenoxy)alumane;hydrochloride?
The canonical SMILES for diethyl-(2-nitrophenoxy)alumane;hydrochloride is CC[Al](CC)Oc1ccccc1[N+](=O)[O-].Cl.
What is the InChIKey of diethyl-(2-nitrophenoxy)alumane;hydrochloride?
The InChIKey is SSHTWMMBMBHJID-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5NO3.2C2H5.Al.ClH/c8-6-4-2-1-3-5(6)7(9)10;2*1-2;;/h1-4,8H;2*1H2,2H3;;1H/q;;;+1;/p-1.
What are the key properties of diethyl-(2-nitrophenoxy)alumane;hydrochloride?
diethyl-(2-nitrophenoxy)alumane;hydrochloride has a molecular weight of 259.67 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(2-nitrophenoxy)alumane;hydrochloride is sourced from PubChem (CID 174261460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).