lithium 1-(1-ethoxyethoxy)propa-1,2-diene

C7H11LiO2 — CID 14250366

IUPAClithium 1-(1-ethoxyethoxy)propa-1,2-diene
SMILESC=C=[C-]OC(C)OCC.[Li+]
InChIInChI=1S/C7H11O2.Li/c1-4-6-9-7(3)8-5-2;/h7H,1,5H2,2-3H3;/q-1;+1
InChIKeyRHOIZDVYERVOTR-UHFFFAOYSA-N
MW134.10 g/mol
LogP-1.51
Rot. Bonds4

About lithium 1-(1-ethoxyethoxy)propa-1,2-diene

lithium 1-(1-ethoxyethoxy)propa-1,2-diene (PubChem CID 14250366) has the molecular formula C7H11LiO2 and a molecular weight of 134.10 g/mol. Its IUPAC name is lithium 1-(1-ethoxyethoxy)propa-1,2-diene.

Molecular Properties

Compound Namelithium 1-(1-ethoxyethoxy)propa-1,2-diene
PubChem CID14250366
Molecular FormulaC7H11LiO2
Molecular Weight134.10 g/mol
Exact Mass134.09
IUPAC Namelithium 1-(1-ethoxyethoxy)propa-1,2-diene
SMILESC=C=[C-]OC(C)OCC.[Li+]
InChIInChI=1S/C7H11O2.Li/c1-4-6-9-7(3)8-5-2;/h7H,1,5H2,2-3H3;/q-1;+1
InChIKeyRHOIZDVYERVOTR-UHFFFAOYSA-N
XLogP-1.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.10
LogP ≤ 5-1.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 1-(1-ethoxyethoxy)propa-1,2-diene?
The IUPAC name of lithium 1-(1-ethoxyethoxy)propa-1,2-diene (CID 14250366) is lithium 1-(1-ethoxyethoxy)propa-1,2-diene.
What is the SMILES notation for lithium 1-(1-ethoxyethoxy)propa-1,2-diene?
The canonical SMILES for lithium 1-(1-ethoxyethoxy)propa-1,2-diene is C=C=[C-]OC(C)OCC.[Li+].
What is the InChIKey of lithium 1-(1-ethoxyethoxy)propa-1,2-diene?
The InChIKey is RHOIZDVYERVOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O2.Li/c1-4-6-9-7(3)8-5-2;/h7H,1,5H2,2-3H3;/q-1;+1.
What are the key properties of lithium 1-(1-ethoxyethoxy)propa-1,2-diene?
lithium 1-(1-ethoxyethoxy)propa-1,2-diene has a molecular weight of 134.10 g/mol, XLogP of -1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(1-ethoxyethoxy)propa-1,2-diene is sourced from PubChem (CID 14250366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).