lithium 4-chlorobutan-1-olate

C4H8ClLiO — CID 139708494

IUPAClithium 4-chlorobutan-1-olate
SMILES[Li+].[O-]CCCCCl
InChIInChI=1S/C4H8ClO.Li/c5-3-1-2-4-6;/h1-4H2;/q-1;+1
InChIKeyZGDWZLDHHYZFCQ-UHFFFAOYSA-N
MW114.50 g/mol
LogP-2.63
Rot. Bonds3

About lithium 4-chlorobutan-1-olate

lithium 4-chlorobutan-1-olate (PubChem CID 139708494) has the molecular formula C4H8ClLiO and a molecular weight of 114.50 g/mol. Its IUPAC name is lithium 4-chlorobutan-1-olate.

Molecular Properties

Compound Namelithium 4-chlorobutan-1-olate
PubChem CID139708494
Molecular FormulaC4H8ClLiO
Molecular Weight114.50 g/mol
Exact Mass114.04
IUPAC Namelithium 4-chlorobutan-1-olate
SMILES[Li+].[O-]CCCCCl
InChIInChI=1S/C4H8ClO.Li/c5-3-1-2-4-6;/h1-4H2;/q-1;+1
InChIKeyZGDWZLDHHYZFCQ-UHFFFAOYSA-N
XLogP-2.63
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.50
LogP ≤ 5-2.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

trimagnesium;9-chlorononan-1-olate;methane;nonan-1-olate;trichloride
CID 161310817
calcium pentane-1,5-diolate
CID 141408075
alumane;1,8-dichlorooctane
CID 173313045
potassium 4-chlorobutane-1-sulfonate
CID 88775129
trilithium;tris(butan-1-olate)
CID 155673085
lithium 3-hydroxypropan-1-olate
CID 175741891
13-chlorotridecan-1-ol
CID 12663580
1-chlorononane
CID 17185
6-chlorohexylphosphane
CID 150562107
(E)-1,10-dichlorodec-5-ene
CID 12889943
1-chloropentadecane
CID 20996
34-chlorotetratriacontane-1-thiol
CID 87684163

Frequently Asked Questions

What is the IUPAC name of lithium 4-chlorobutan-1-olate?
The IUPAC name of lithium 4-chlorobutan-1-olate (CID 139708494) is lithium 4-chlorobutan-1-olate.
What is the SMILES notation for lithium 4-chlorobutan-1-olate?
The canonical SMILES for lithium 4-chlorobutan-1-olate is [Li+].[O-]CCCCCl.
What is the InChIKey of lithium 4-chlorobutan-1-olate?
The InChIKey is ZGDWZLDHHYZFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClO.Li/c5-3-1-2-4-6;/h1-4H2;/q-1;+1.
What are the key properties of lithium 4-chlorobutan-1-olate?
lithium 4-chlorobutan-1-olate has a molecular weight of 114.50 g/mol, XLogP of -2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-chlorobutan-1-olate is sourced from PubChem (CID 139708494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).