lithium 1-(methoxymethoxy)propa-1,2-diene

C5H7LiO2 — CID 11116004

IUPAClithium 1-(methoxymethoxy)propa-1,2-diene
SMILESC=C=[C-]OCOC.[Li+]
InChIInChI=1S/C5H7O2.Li/c1-3-4-7-5-6-2;/h1,5H2,2H3;/q-1;+1
InChIKeyQQQVZJKKOOZYHQ-UHFFFAOYSA-N
MW106.05 g/mol
LogP-2.29
Rot. Bonds3

About lithium 1-(methoxymethoxy)propa-1,2-diene

lithium 1-(methoxymethoxy)propa-1,2-diene (PubChem CID 11116004) has the molecular formula C5H7LiO2 and a molecular weight of 106.05 g/mol. Its IUPAC name is lithium 1-(methoxymethoxy)propa-1,2-diene.

Molecular Properties

Compound Namelithium 1-(methoxymethoxy)propa-1,2-diene
PubChem CID11116004
Molecular FormulaC5H7LiO2
Molecular Weight106.05 g/mol
Exact Mass106.06
IUPAC Namelithium 1-(methoxymethoxy)propa-1,2-diene
SMILESC=C=[C-]OCOC.[Li+]
InChIInChI=1S/C5H7O2.Li/c1-3-4-7-5-6-2;/h1,5H2,2H3;/q-1;+1
InChIKeyQQQVZJKKOOZYHQ-UHFFFAOYSA-N
XLogP-2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.05
LogP ≤ 5-2.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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)propa-1,2-diene?
The IUPAC name of lithium 1-(methoxymethoxy)propa-1,2-diene (CID 11116004) is lithium 1-(methoxymethoxy)propa-1,2-diene.
What is the SMILES notation for lithium 1-(methoxymethoxy)propa-1,2-diene?
The canonical SMILES for lithium 1-(methoxymethoxy)propa-1,2-diene is C=C=[C-]OCOC.[Li+].
What is the InChIKey of lithium 1-(methoxymethoxy)propa-1,2-diene?
The InChIKey is QQQVZJKKOOZYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7O2.Li/c1-3-4-7-5-6-2;/h1,5H2,2H3;/q-1;+1.
What are the key properties of lithium 1-(methoxymethoxy)propa-1,2-diene?
lithium 1-(methoxymethoxy)propa-1,2-diene has a molecular weight of 106.05 g/mol, XLogP of -2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(methoxymethoxy)propa-1,2-diene is sourced from PubChem (CID 11116004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).