lithium 2-(phenoxy)oxane

C11H13LiO2 — CID 22133362

IUPAClithium 2-(phenoxy)oxane
SMILES[Li+].[c-]1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C11H13O2.Li/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;/h2-3,6-7,11H,4-5,8-9H2;/q-1;+1
InChIKeyJJNJIRAARRRMHF-UHFFFAOYSA-N
MW184.16 g/mol
LogP-0.60
Rot. Bonds2

About lithium 2-(phenoxy)oxane

lithium 2-(phenoxy)oxane (PubChem CID 22133362) has the molecular formula C11H13LiO2 and a molecular weight of 184.16 g/mol. Its IUPAC name is lithium 2-(phenoxy)oxane.

Molecular Properties

Compound Namelithium 2-(phenoxy)oxane
PubChem CID22133362
Molecular FormulaC11H13LiO2
Molecular Weight184.16 g/mol
Exact Mass184.11
IUPAC Namelithium 2-(phenoxy)oxane
SMILES[Li+].[c-]1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C11H13O2.Li/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;/h2-3,6-7,11H,4-5,8-9H2;/q-1;+1
InChIKeyJJNJIRAARRRMHF-UHFFFAOYSA-N
XLogP-0.60
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 ≤ 5-0.60
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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Related Compounds

4-(oxan-2-yloxy)phenol
CID 11745519
CID 168763543
CID 168763543
4-(oxan-2-yloxy)benzoic acid
CID 11183645
trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
(2R)-2-(4-nitrophenoxy)oxane
CID 101172898
2-phenoxyoxolane
CID 11030163
(2S)-2-phenoxyoxolane
CID 86339377
(2R)-2-phenoxyoxolane
CID 86339376
CID 143834486
CID 143834486
[4-(oxan-2-yloxy)phenyl]methanethiol
CID 11264585
[4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid
CID 99738228

Frequently Asked Questions

What is the IUPAC name of lithium 2-(phenoxy)oxane?
The IUPAC name of lithium 2-(phenoxy)oxane (CID 22133362) is lithium 2-(phenoxy)oxane.
What is the SMILES notation for lithium 2-(phenoxy)oxane?
The canonical SMILES for lithium 2-(phenoxy)oxane is [Li+].[c-]1ccc(OC2CCCCO2)cc1.
What is the InChIKey of lithium 2-(phenoxy)oxane?
The InChIKey is JJNJIRAARRRMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O2.Li/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;/h2-3,6-7,11H,4-5,8-9H2;/q-1;+1.
What are the key properties of lithium 2-(phenoxy)oxane?
lithium 2-(phenoxy)oxane has a molecular weight of 184.16 g/mol, XLogP of -0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(phenoxy)oxane is sourced from PubChem (CID 22133362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).