lithium 1-methoxybutane

C5H11LiO — CID 10877055

IUPAClithium 1-methoxybutane
SMILES[CH2-]CCCOC.[Li+]
InChIInChI=1S/C5H11O.Li/c1-3-4-5-6-2;/h1,3-5H2,2H3;/q-1;+1
InChIKeyAXZIMRYBZVAYMQ-UHFFFAOYSA-N
MW94.08 g/mol
LogP-1.75
Rot. Bonds3

About lithium 1-methoxybutane

lithium 1-methoxybutane (PubChem CID 10877055) has the molecular formula C5H11LiO and a molecular weight of 94.08 g/mol. Its IUPAC name is lithium 1-methoxybutane.

Molecular Properties

Compound Namelithium 1-methoxybutane
PubChem CID10877055
Molecular FormulaC5H11LiO
Molecular Weight94.08 g/mol
Exact Mass94.10
IUPAC Namelithium 1-methoxybutane
SMILES[CH2-]CCCOC.[Li+]
InChIInChI=1S/C5H11O.Li/c1-3-4-5-6-2;/h1,3-5H2,2H3;/q-1;+1
InChIKeyAXZIMRYBZVAYMQ-UHFFFAOYSA-N
XLogP-1.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.08
LogP ≤ 5-1.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxypropane
CID 91006796
benzene;1,4-dimethoxybutane;ethane
CID 143037536
lithium;butane;1-methoxy-2-(2-methoxyethoxy)ethane
CID 88751821
1,2-dimethoxyethane;methoxyethane;yttrium
CID 161194141
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
1,2-dimethoxyethane;ethane
CID 91349162
1,2-dimethoxyethane;samarium
CID 174304250
1-methoxyhexacosane
CID 20780514
azane;3-methoxypropan-1-amine
CID 172866087
1-fluoro-4-methoxybutane
CID 20582799
magnesium;1-methoxybutane;diiodide
CID 175076057

Frequently Asked Questions

What is the IUPAC name of lithium 1-methoxybutane?
The IUPAC name of lithium 1-methoxybutane (CID 10877055) is lithium 1-methoxybutane.
What is the SMILES notation for lithium 1-methoxybutane?
The canonical SMILES for lithium 1-methoxybutane is [CH2-]CCCOC.[Li+].
What is the InChIKey of lithium 1-methoxybutane?
The InChIKey is AXZIMRYBZVAYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O.Li/c1-3-4-5-6-2;/h1,3-5H2,2H3;/q-1;+1.
What are the key properties of lithium 1-methoxybutane?
lithium 1-methoxybutane has a molecular weight of 94.08 g/mol, XLogP of -1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-methoxybutane is sourced from PubChem (CID 10877055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).