lithium 1-(methoxymethoxy)pentane

C7H15LiO2 — CID 172535172

IUPAClithium 1-(methoxymethoxy)pentane
SMILESC[CH-]CCCOCOC.[Li+]
InChIInChI=1S/C7H15O2.Li/c1-3-4-5-6-9-7-8-2;/h3H,4-7H2,1-2H3;/q-1;+1
InChIKeyVFQFSLDAGVKAGC-UHFFFAOYSA-N
MW138.14 g/mol
LogP-1.38
Rot. Bonds6

About lithium 1-(methoxymethoxy)pentane

lithium 1-(methoxymethoxy)pentane (PubChem CID 172535172) has the molecular formula C7H15LiO2 and a molecular weight of 138.14 g/mol. Its IUPAC name is lithium 1-(methoxymethoxy)pentane.

Molecular Properties

Compound Namelithium 1-(methoxymethoxy)pentane
PubChem CID172535172
Molecular FormulaC7H15LiO2
Molecular Weight138.14 g/mol
Exact Mass138.12
IUPAC Namelithium 1-(methoxymethoxy)pentane
SMILESC[CH-]CCCOCOC.[Li+]
InChIInChI=1S/C7H15O2.Li/c1-3-4-5-6-9-7-8-2;/h3H,4-7H2,1-2H3;/q-1;+1
InChIKeyVFQFSLDAGVKAGC-UHFFFAOYSA-N
XLogP-1.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.14
LogP ≤ 5-1.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(methoxymethoxy)pentane?
The IUPAC name of lithium 1-(methoxymethoxy)pentane (CID 172535172) is lithium 1-(methoxymethoxy)pentane.
What is the SMILES notation for lithium 1-(methoxymethoxy)pentane?
The canonical SMILES for lithium 1-(methoxymethoxy)pentane is C[CH-]CCCOCOC.[Li+].
What is the InChIKey of lithium 1-(methoxymethoxy)pentane?
The InChIKey is VFQFSLDAGVKAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O2.Li/c1-3-4-5-6-9-7-8-2;/h3H,4-7H2,1-2H3;/q-1;+1.
What are the key properties of lithium 1-(methoxymethoxy)pentane?
lithium 1-(methoxymethoxy)pentane has a molecular weight of 138.14 g/mol, XLogP of -1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(methoxymethoxy)pentane is sourced from PubChem (CID 172535172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).