bis(1-ethoxybutoxy)-oxoazanium

C12H26NO5+ — CID 57161753

IUPACbis(1-ethoxybutoxy)-oxoazanium
SMILESCCCC(OCC)O[N+](=O)OC(CCC)OCC
InChIInChI=1S/C12H26NO5/c1-5-9-11(15-7-3)17-13(14)18-12(10-6-2)16-8-4/h11-12H,5-10H2,1-4H3/q+1
InChIKeyYKFLGZRROQYBNX-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.95
Rot. Bonds12

About bis(1-ethoxybutoxy)-oxoazanium

bis(1-ethoxybutoxy)-oxoazanium (PubChem CID 57161753) has the molecular formula C12H26NO5+ and a molecular weight of 264.34 g/mol. Its IUPAC name is bis(1-ethoxybutoxy)-oxoazanium.

Molecular Properties

Compound Namebis(1-ethoxybutoxy)-oxoazanium
PubChem CID57161753
Molecular FormulaC12H26NO5+
Molecular Weight264.34 g/mol
Exact Mass264.18
IUPAC Namebis(1-ethoxybutoxy)-oxoazanium
SMILESCCCC(OCC)O[N+](=O)OC(CCC)OCC
InChIInChI=1S/C12H26NO5/c1-5-9-11(15-7-3)17-13(14)18-12(10-6-2)16-8-4/h11-12H,5-10H2,1-4H3/q+1
InChIKeyYKFLGZRROQYBNX-UHFFFAOYSA-N
XLogP2.95
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethoxybutyl ethyl carbonate
CID 87247979
1-ethoxybutyl 2-sulfanylpentanoate
CID 18962185
1-ethoxybutyl hexanoate
CID 87361313
[2-(dimethylamino)-1-ethoxyethyl] nitrate
CID 154091069
di(heptan-2-yloxy)-oxoazanium
CID 57155289
di(octan-2-yloxy)-oxoazanium
CID 57229346
N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine
CID 81094479
N-(2,2-diethoxyethyl)hexan-3-amine
CID 81094919
3,3-diethoxypropyl-[4-(3,3-diethoxypropylsilyl)phenyl]silane
CID 123620205
N-(2,2-diethoxyethyl)-2-methylpentanamide
CID 79547187
N-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine
CID 81094480
(E)-4,4-diethoxy-1-nitrobut-1-ene
CID 56957420

Frequently Asked Questions

What is the IUPAC name of bis(1-ethoxybutoxy)-oxoazanium?
The IUPAC name of bis(1-ethoxybutoxy)-oxoazanium (CID 57161753) is bis(1-ethoxybutoxy)-oxoazanium.
What is the SMILES notation for bis(1-ethoxybutoxy)-oxoazanium?
The canonical SMILES for bis(1-ethoxybutoxy)-oxoazanium is CCCC(OCC)O[N+](=O)OC(CCC)OCC.
What is the InChIKey of bis(1-ethoxybutoxy)-oxoazanium?
The InChIKey is YKFLGZRROQYBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26NO5/c1-5-9-11(15-7-3)17-13(14)18-12(10-6-2)16-8-4/h11-12H,5-10H2,1-4H3/q+1.
What are the key properties of bis(1-ethoxybutoxy)-oxoazanium?
bis(1-ethoxybutoxy)-oxoazanium has a molecular weight of 264.34 g/mol, XLogP of 2.95, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethoxybutoxy)-oxoazanium is sourced from PubChem (CID 57161753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).