lithium 1,1-diethoxypropane

C7H15LiO2 — CID 11355511

IUPAClithium 1,1-diethoxypropane
SMILES[CH2-]CC(OCC)OCC.[Li+]
InChIInChI=1S/C7H15O2.Li/c1-4-7(8-5-2)9-6-3;/h7H,1,4-6H2,2-3H3;/q-1;+1
InChIKeyWTUMRTHUKUFZRZ-UHFFFAOYSA-N
MW138.14 g/mol
LogP-1.39
Rot. Bonds5

About lithium 1,1-diethoxypropane

lithium 1,1-diethoxypropane (PubChem CID 11355511) has the molecular formula C7H15LiO2 and a molecular weight of 138.14 g/mol. Its IUPAC name is lithium 1,1-diethoxypropane.

Molecular Properties

Compound Namelithium 1,1-diethoxypropane
PubChem CID11355511
Molecular FormulaC7H15LiO2
Molecular Weight138.14 g/mol
Exact Mass138.12
IUPAC Namelithium 1,1-diethoxypropane
SMILES[CH2-]CC(OCC)OCC.[Li+]
InChIInChI=1S/C7H15O2.Li/c1-4-7(8-5-2)9-6-3;/h7H,1,4-6H2,2-3H3;/q-1;+1
InChIKeyWTUMRTHUKUFZRZ-UHFFFAOYSA-N
XLogP-1.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.14
LogP ≤ 5-1.39
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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Frequently Asked Questions

What is the IUPAC name of lithium 1,1-diethoxypropane?
The IUPAC name of lithium 1,1-diethoxypropane (CID 11355511) is lithium 1,1-diethoxypropane.
What is the SMILES notation for lithium 1,1-diethoxypropane?
The canonical SMILES for lithium 1,1-diethoxypropane is [CH2-]CC(OCC)OCC.[Li+].
What is the InChIKey of lithium 1,1-diethoxypropane?
The InChIKey is WTUMRTHUKUFZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O2.Li/c1-4-7(8-5-2)9-6-3;/h7H,1,4-6H2,2-3H3;/q-1;+1.
What are the key properties of lithium 1,1-diethoxypropane?
lithium 1,1-diethoxypropane has a molecular weight of 138.14 g/mol, XLogP of -1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,1-diethoxypropane is sourced from PubChem (CID 11355511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).