lithium 3-(methoxymethoxy)but-1-ene

C6H11LiO2 — CID 177418718

IUPAClithium 3-(methoxymethoxy)but-1-ene
SMILES[H]/[C-]=C\C(C)OCOC.[Li+]
InChIInChI=1S/C6H11O2.Li/c1-4-6(2)8-5-7-3;/h1,4,6H,5H2,2-3H3;/q-1;+1
InChIKeyIFAZZAJKWVZEOC-UHFFFAOYSA-N
MW122.09 g/mol
LogP-2.01
Rot. Bonds4

About lithium 3-(methoxymethoxy)but-1-ene

lithium 3-(methoxymethoxy)but-1-ene (PubChem CID 177418718) has the molecular formula C6H11LiO2 and a molecular weight of 122.09 g/mol. Its IUPAC name is lithium 3-(methoxymethoxy)but-1-ene.

Molecular Properties

Compound Namelithium 3-(methoxymethoxy)but-1-ene
PubChem CID177418718
Molecular FormulaC6H11LiO2
Molecular Weight122.09 g/mol
Exact Mass122.09
IUPAC Namelithium 3-(methoxymethoxy)but-1-ene
SMILES[H]/[C-]=C\C(C)OCOC.[Li+]
InChIInChI=1S/C6H11O2.Li/c1-4-6(2)8-5-7-3;/h1,4,6H,5H2,2-3H3;/q-1;+1
InChIKeyIFAZZAJKWVZEOC-UHFFFAOYSA-N
XLogP-2.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.09
LogP ≤ 5-2.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 3-(methoxymethoxy)but-1-ene?
The IUPAC name of lithium 3-(methoxymethoxy)but-1-ene (CID 177418718) is lithium 3-(methoxymethoxy)but-1-ene.
What is the SMILES notation for lithium 3-(methoxymethoxy)but-1-ene?
The canonical SMILES for lithium 3-(methoxymethoxy)but-1-ene is [H]/[C-]=C\C(C)OCOC.[Li+].
What is the InChIKey of lithium 3-(methoxymethoxy)but-1-ene?
The InChIKey is IFAZZAJKWVZEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O2.Li/c1-4-6(2)8-5-7-3;/h1,4,6H,5H2,2-3H3;/q-1;+1.
What are the key properties of lithium 3-(methoxymethoxy)but-1-ene?
lithium 3-(methoxymethoxy)but-1-ene has a molecular weight of 122.09 g/mol, XLogP of -2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-(methoxymethoxy)but-1-ene is sourced from PubChem (CID 177418718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).