lithium 4-(phenoxy)oxane

C11H13LiO2 — CID 134892153

IUPAClithium 4-(phenoxy)oxane
SMILES[Li+].[c-]1ccc(OC2CCOCC2)cc1
InChIInChI=1S/C11H13O2.Li/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11;/h2-5,11H,6-9H2;/q-1;+1
InChIKeyLTUAZVVLGQYIPK-UHFFFAOYSA-N
MW184.16 g/mol
LogP-0.95
Rot. Bonds2

About lithium 4-(phenoxy)oxane

lithium 4-(phenoxy)oxane (PubChem CID 134892153) has the molecular formula C11H13LiO2 and a molecular weight of 184.16 g/mol. Its IUPAC name is lithium 4-(phenoxy)oxane.

Molecular Properties

Compound Namelithium 4-(phenoxy)oxane
PubChem CID134892153
Molecular FormulaC11H13LiO2
Molecular Weight184.16 g/mol
Exact Mass184.11
IUPAC Namelithium 4-(phenoxy)oxane
SMILES[Li+].[c-]1ccc(OC2CCOCC2)cc1
InChIInChI=1S/C11H13O2.Li/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11;/h2-5,11H,6-9H2;/q-1;+1
InChIKeyLTUAZVVLGQYIPK-UHFFFAOYSA-N
XLogP-0.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 4-(phenoxy)oxane?
The IUPAC name of lithium 4-(phenoxy)oxane (CID 134892153) is lithium 4-(phenoxy)oxane.
What is the SMILES notation for lithium 4-(phenoxy)oxane?
The canonical SMILES for lithium 4-(phenoxy)oxane is [Li+].[c-]1ccc(OC2CCOCC2)cc1.
What is the InChIKey of lithium 4-(phenoxy)oxane?
The InChIKey is LTUAZVVLGQYIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O2.Li/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11;/h2-5,11H,6-9H2;/q-1;+1.
What are the key properties of lithium 4-(phenoxy)oxane?
lithium 4-(phenoxy)oxane has a molecular weight of 184.16 g/mol, XLogP of -0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-(phenoxy)oxane is sourced from PubChem (CID 134892153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).