lithium 5-methoxy-2-methylpent-1-en-3-yne

C7H9LiO — CID 134906230

IUPAClithium 5-methoxy-2-methylpent-1-en-3-yne
SMILESC=C(C)C#C[CH-]OC.[Li+]
InChIInChI=1S/C7H9O.Li/c1-7(2)5-4-6-8-3;/h6H,1H2,2-3H3;/q-1;+1
InChIKeyAQJDVFWBZDKAMJ-UHFFFAOYSA-N
MW116.09 g/mol
LogP-1.62
Rot. Bonds1

About lithium 5-methoxy-2-methylpent-1-en-3-yne

lithium 5-methoxy-2-methylpent-1-en-3-yne (PubChem CID 134906230) has the molecular formula C7H9LiO and a molecular weight of 116.09 g/mol. Its IUPAC name is lithium 5-methoxy-2-methylpent-1-en-3-yne.

Molecular Properties

Compound Namelithium 5-methoxy-2-methylpent-1-en-3-yne
PubChem CID134906230
Molecular FormulaC7H9LiO
Molecular Weight116.09 g/mol
Exact Mass116.08
IUPAC Namelithium 5-methoxy-2-methylpent-1-en-3-yne
SMILESC=C(C)C#C[CH-]OC.[Li+]
InChIInChI=1S/C7H9O.Li/c1-7(2)5-4-6-8-3;/h6H,1H2,2-3H3;/q-1;+1
InChIKeyAQJDVFWBZDKAMJ-UHFFFAOYSA-N
XLogP-1.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.09
LogP ≤ 5-1.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 5-methoxy-2-methylpent-1-en-3-yne?
The IUPAC name of lithium 5-methoxy-2-methylpent-1-en-3-yne (CID 134906230) is lithium 5-methoxy-2-methylpent-1-en-3-yne.
What is the SMILES notation for lithium 5-methoxy-2-methylpent-1-en-3-yne?
The canonical SMILES for lithium 5-methoxy-2-methylpent-1-en-3-yne is C=C(C)C#C[CH-]OC.[Li+].
What is the InChIKey of lithium 5-methoxy-2-methylpent-1-en-3-yne?
The InChIKey is AQJDVFWBZDKAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O.Li/c1-7(2)5-4-6-8-3;/h6H,1H2,2-3H3;/q-1;+1.
What are the key properties of lithium 5-methoxy-2-methylpent-1-en-3-yne?
lithium 5-methoxy-2-methylpent-1-en-3-yne has a molecular weight of 116.09 g/mol, XLogP of -1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-methoxy-2-methylpent-1-en-3-yne is sourced from PubChem (CID 134906230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).