lithium 1-bromo-2-ethoxycyclopropane

C5H8BrLiO — CID 15711178

IUPAClithium 1-bromo-2-ethoxycyclopropane
SMILESCCOC1C[C-]1Br.[Li+]
InChIInChI=1S/C5H8BrO.Li/c1-2-7-5-3-4(5)6;/h5H,2-3H2,1H3;/q-1;+1
InChIKeyVQXCKIIVNCAVPE-UHFFFAOYSA-N
MW170.96 g/mol
LogP-1.27
Rot. Bonds2

About lithium 1-bromo-2-ethoxycyclopropane

lithium 1-bromo-2-ethoxycyclopropane (PubChem CID 15711178) has the molecular formula C5H8BrLiO and a molecular weight of 170.96 g/mol. Its IUPAC name is lithium 1-bromo-2-ethoxycyclopropane.

Molecular Properties

Compound Namelithium 1-bromo-2-ethoxycyclopropane
PubChem CID15711178
Molecular FormulaC5H8BrLiO
Molecular Weight170.96 g/mol
Exact Mass169.99
IUPAC Namelithium 1-bromo-2-ethoxycyclopropane
SMILESCCOC1C[C-]1Br.[Li+]
InChIInChI=1S/C5H8BrO.Li/c1-2-7-5-3-4(5)6;/h5H,2-3H2,1H3;/q-1;+1
InChIKeyVQXCKIIVNCAVPE-UHFFFAOYSA-N
XLogP-1.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.96
LogP ≤ 5-1.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze lithium 1-bromo-2-ethoxycyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium 1-bromo-2-ethoxycyclopropane?
The IUPAC name of lithium 1-bromo-2-ethoxycyclopropane (CID 15711178) is lithium 1-bromo-2-ethoxycyclopropane.
What is the SMILES notation for lithium 1-bromo-2-ethoxycyclopropane?
The canonical SMILES for lithium 1-bromo-2-ethoxycyclopropane is CCOC1C[C-]1Br.[Li+].
What is the InChIKey of lithium 1-bromo-2-ethoxycyclopropane?
The InChIKey is VQXCKIIVNCAVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrO.Li/c1-2-7-5-3-4(5)6;/h5H,2-3H2,1H3;/q-1;+1.
What are the key properties of lithium 1-bromo-2-ethoxycyclopropane?
lithium 1-bromo-2-ethoxycyclopropane has a molecular weight of 170.96 g/mol, XLogP of -1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-bromo-2-ethoxycyclopropane is sourced from PubChem (CID 15711178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).