lithium hexan-1-olate

C6H13LiO — CID 23678648

IUPAClithium hexan-1-olate
SMILESCCCCCC[O-].[Li+]
InChIInChI=1S/C6H13O.Li/c1-2-3-4-5-6-7;/h2-6H2,1H3;/q-1;+1
InChIKeyPPXOATAYFFLLBM-UHFFFAOYSA-N
MW108.11 g/mol
LogP-2.07
Rot. Bonds4

About lithium hexan-1-olate

lithium hexan-1-olate (PubChem CID 23678648) has the molecular formula C6H13LiO and a molecular weight of 108.11 g/mol. Its IUPAC name is lithium hexan-1-olate.

Molecular Properties

Compound Namelithium hexan-1-olate
PubChem CID23678648
Molecular FormulaC6H13LiO
Molecular Weight108.11 g/mol
Exact Mass108.11
IUPAC Namelithium hexan-1-olate
SMILESCCCCCC[O-].[Li+]
InChIInChI=1S/C6H13O.Li/c1-2-3-4-5-6-7;/h2-6H2,1H3;/q-1;+1
InChIKeyPPXOATAYFFLLBM-UHFFFAOYSA-N
XLogP-2.07
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.11
LogP ≤ 5-2.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Hexyl methyl ether
CID 78484
1-Hexanol, sodium salt (1:1)
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Monoamylmethoxysilan
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Chlorhexoxyd
CID 21567848
Kaliumhexylat
CID 23698043
Magnesium;hexan-1-olate;bromide
CID 135078025
Hexyl hypofluorite
CID 59366593
Hexan-1-olate
CID 22606972
CID 5486000
CID 5486000
Dilithium;carbanide;hexan-1-olate
CID 135057041
Hexan-1-olate
CID 53627517

Frequently Asked Questions

What is the IUPAC name of lithium hexan-1-olate?
The IUPAC name of lithium hexan-1-olate (CID 23678648) is lithium hexan-1-olate.
What is the SMILES notation for lithium hexan-1-olate?
The canonical SMILES for lithium hexan-1-olate is CCCCCC[O-].[Li+].
What is the InChIKey of lithium hexan-1-olate?
The InChIKey is PPXOATAYFFLLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O.Li/c1-2-3-4-5-6-7;/h2-6H2,1H3;/q-1;+1.
What are the key properties of lithium hexan-1-olate?
lithium hexan-1-olate has a molecular weight of 108.11 g/mol, XLogP of -2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium hexan-1-olate is sourced from PubChem (CID 23678648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).