diazanium;ethanolate;undec-2-enoate

C13H32N2O3 — CID 141132722

IUPACdiazanium;ethanolate;undec-2-enoate
SMILESCCCCCCCCC=CC(=O)[O-].CC[O-].[NH4+].[NH4+]
InChIInChI=1S/C11H20O2.C2H5O.2H3N/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-2-3;;/h9-10H,2-8H2,1H3,(H,12,13);2H2,1H3;2*1H3/q;-1;;/p+1
InChIKeyXCLUENGRVFNBSI-UHFFFAOYSA-O
MW264.41 g/mol
LogP2.16
Rot. Bonds8

About diazanium;ethanolate;undec-2-enoate

diazanium;ethanolate;undec-2-enoate (PubChem CID 141132722) has the molecular formula C13H32N2O3 and a molecular weight of 264.41 g/mol. Its IUPAC name is diazanium;ethanolate;undec-2-enoate.

Molecular Properties

Compound Namediazanium;ethanolate;undec-2-enoate
PubChem CID141132722
Molecular FormulaC13H32N2O3
Molecular Weight264.41 g/mol
Exact Mass264.24
IUPAC Namediazanium;ethanolate;undec-2-enoate
SMILESCCCCCCCCC=CC(=O)[O-].CC[O-].[NH4+].[NH4+]
InChIInChI=1S/C11H20O2.C2H5O.2H3N/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-2-3;;/h9-10H,2-8H2,1H3,(H,12,13);2H2,1H3;2*1H3/q;-1;;/p+1
InChIKeyXCLUENGRVFNBSI-UHFFFAOYSA-O
XLogP2.16
TPSA136.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

azanium dec-2-enoate
CID 162335967
lead(2+);bis(undec-2-enoate)
CID 87254257
lithium nonadec-2-enoate
CID 139791513
manganese(2+);bis(undec-2-enoate)
CID 89315247
magnesium bis(dec-2-enoate)
CID 159853408
neodymium(3+);tris(oct-2-enoate)
CID 158634826
calcium bis(hept-2-enoate)
CID 141143408
(2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate
CID 21145301
bismuth bis((2E,4E)-dodeca-2,4-dienoate)
CID 6433559
sodium icosa-2,4,6,8-tetraenoate
CID 165168536
lithium docosa-2,4,6,8,10,12-hexaenoate
CID 74087716
sodium docosa-2,4,6,8,10,12-hexaenoate
CID 173150739

Frequently Asked Questions

What is the IUPAC name of diazanium;ethanolate;undec-2-enoate?
The IUPAC name of diazanium;ethanolate;undec-2-enoate (CID 141132722) is diazanium;ethanolate;undec-2-enoate.
What is the SMILES notation for diazanium;ethanolate;undec-2-enoate?
The canonical SMILES for diazanium;ethanolate;undec-2-enoate is CCCCCCCCC=CC(=O)[O-].CC[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium;ethanolate;undec-2-enoate?
The InChIKey is XCLUENGRVFNBSI-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H20O2.C2H5O.2H3N/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-2-3;;/h9-10H,2-8H2,1H3,(H,12,13);2H2,1H3;2*1H3/q;-1;;/p+1.
What are the key properties of diazanium;ethanolate;undec-2-enoate?
diazanium;ethanolate;undec-2-enoate has a molecular weight of 264.41 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;ethanolate;undec-2-enoate is sourced from PubChem (CID 141132722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).