lithium 1-ethenoxypropane

C5H9LiO — CID 135050499

IUPAClithium 1-ethenoxypropane
SMILESC=COCC[CH2-].[Li+]
InChIInChI=1S/C5H9O.Li/c1-3-5-6-4-2;/h4H,1-3,5H2;/q-1;+1
InChIKeyZYYURIUCMGHFCM-UHFFFAOYSA-N
MW92.07 g/mol
LogP-1.63
Rot. Bonds3

About lithium 1-ethenoxypropane

lithium 1-ethenoxypropane (PubChem CID 135050499) has the molecular formula C5H9LiO and a molecular weight of 92.07 g/mol. Its IUPAC name is lithium 1-ethenoxypropane.

Molecular Properties

Compound Namelithium 1-ethenoxypropane
PubChem CID135050499
Molecular FormulaC5H9LiO
Molecular Weight92.07 g/mol
Exact Mass92.08
IUPAC Namelithium 1-ethenoxypropane
SMILESC=COCC[CH2-].[Li+]
InChIInChI=1S/C5H9O.Li/c1-3-5-6-4-2;/h4H,1-3,5H2;/q-1;+1
InChIKeyZYYURIUCMGHFCM-UHFFFAOYSA-N
XLogP-1.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.07
LogP ≤ 5-1.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 1-ethenoxypropane?
The IUPAC name of lithium 1-ethenoxypropane (CID 135050499) is lithium 1-ethenoxypropane.
What is the SMILES notation for lithium 1-ethenoxypropane?
The canonical SMILES for lithium 1-ethenoxypropane is C=COCC[CH2-].[Li+].
What is the InChIKey of lithium 1-ethenoxypropane?
The InChIKey is ZYYURIUCMGHFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O.Li/c1-3-5-6-4-2;/h4H,1-3,5H2;/q-1;+1.
What are the key properties of lithium 1-ethenoxypropane?
lithium 1-ethenoxypropane has a molecular weight of 92.07 g/mol, XLogP of -1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-ethenoxypropane is sourced from PubChem (CID 135050499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).