lithium 1-ethoxy-1-methanidyloxyethane

C5H11LiO2 — CID 14163865

IUPAClithium 1-ethoxy-1-methanidyloxyethane
SMILES[CH2-]OC(C)OCC.[Li+]
InChIInChI=1S/C5H11O2.Li/c1-4-7-5(2)6-3;/h5H,3-4H2,1-2H3;/q-1;+1
InChIKeyOOKKJRUPFAYIBY-UHFFFAOYSA-N
MW110.08 g/mol
LogP-1.82
Rot. Bonds3

About lithium 1-ethoxy-1-methanidyloxyethane

lithium 1-ethoxy-1-methanidyloxyethane (PubChem CID 14163865) has the molecular formula C5H11LiO2 and a molecular weight of 110.08 g/mol. Its IUPAC name is lithium 1-ethoxy-1-methanidyloxyethane.

Molecular Properties

Compound Namelithium 1-ethoxy-1-methanidyloxyethane
PubChem CID14163865
Molecular FormulaC5H11LiO2
Molecular Weight110.08 g/mol
Exact Mass110.09
IUPAC Namelithium 1-ethoxy-1-methanidyloxyethane
SMILES[CH2-]OC(C)OCC.[Li+]
InChIInChI=1S/C5H11O2.Li/c1-4-7-5(2)6-3;/h5H,3-4H2,1-2H3;/q-1;+1
InChIKeyOOKKJRUPFAYIBY-UHFFFAOYSA-N
XLogP-1.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.08
LogP ≤ 5-1.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-diethoxyethane
CID 7765
1,1-diethoxyethane;stannane
CID 87529398
1,1-diethoxyethane;sulfane
CID 87563963
1-ethoxy-1-[1-(1-ethoxyethoxymethoxy)ethoxymethoxy]ethane
CID 161169297
1,1-diethoxyethane;N-methylmethanamine
CID 90073696
cyclopropane;1,1-diethoxyethane
CID 67020569
1,1-dimethoxyethane;1-ethoxy-1-methoxyethane
CID 175467857
1-[(1R)-1-ethoxyethoxy]-2-methylpropane
CID 40566537
carbonic acid;1,1-diethoxyethane
CID 87827362
CID 171374592
CID 171374592
1,1-diethoxyethane;1,3,5-trimethylbenzene
CID 66684886
acetaldehyde;butane;1,1-diethoxyethane
CID 87162704

Frequently Asked Questions

What is the IUPAC name of lithium 1-ethoxy-1-methanidyloxyethane?
The IUPAC name of lithium 1-ethoxy-1-methanidyloxyethane (CID 14163865) is lithium 1-ethoxy-1-methanidyloxyethane.
What is the SMILES notation for lithium 1-ethoxy-1-methanidyloxyethane?
The canonical SMILES for lithium 1-ethoxy-1-methanidyloxyethane is [CH2-]OC(C)OCC.[Li+].
What is the InChIKey of lithium 1-ethoxy-1-methanidyloxyethane?
The InChIKey is OOKKJRUPFAYIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O2.Li/c1-4-7-5(2)6-3;/h5H,3-4H2,1-2H3;/q-1;+1.
What are the key properties of lithium 1-ethoxy-1-methanidyloxyethane?
lithium 1-ethoxy-1-methanidyloxyethane has a molecular weight of 110.08 g/mol, XLogP of -1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-ethoxy-1-methanidyloxyethane is sourced from PubChem (CID 14163865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).