dilithium;6-(phenoxy)hexan-1-olate

C12H16Li2O2 — CID 23663861

IUPACdilithium;6-(phenoxy)hexan-1-olate
SMILES[Li+].[Li+].[O-]CCCCCCOc1[c-]cccc1
InChIInChI=1S/C12H16O2.2Li/c13-10-6-1-2-7-11-14-12-8-4-3-5-9-12;;/h3-5,8H,1-2,6-7,10-11H2;;/q-2;2*+1
InChIKeyOTNVIWOTYSIFDM-UHFFFAOYSA-N
MW206.14 g/mol
LogP-4.21
Rot. Bonds7

About dilithium;6-(phenoxy)hexan-1-olate

dilithium;6-(phenoxy)hexan-1-olate (PubChem CID 23663861) has the molecular formula C12H16Li2O2 and a molecular weight of 206.14 g/mol. Its IUPAC name is dilithium;6-(phenoxy)hexan-1-olate.

Molecular Properties

Compound Namedilithium;6-(phenoxy)hexan-1-olate
PubChem CID23663861
Molecular FormulaC12H16Li2O2
Molecular Weight206.14 g/mol
Exact Mass206.15
IUPAC Namedilithium;6-(phenoxy)hexan-1-olate
SMILES[Li+].[Li+].[O-]CCCCCCOc1[c-]cccc1
InChIInChI=1S/C12H16O2.2Li/c13-10-6-1-2-7-11-14-12-8-4-3-5-9-12;;/h3-5,8H,1-2,6-7,10-11H2;;/q-2;2*+1
InChIKeyOTNVIWOTYSIFDM-UHFFFAOYSA-N
XLogP-4.21
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.14
LogP ≤ 5-4.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dilithium;6-(phenoxy)hexan-1-olate?
The IUPAC name of dilithium;6-(phenoxy)hexan-1-olate (CID 23663861) is dilithium;6-(phenoxy)hexan-1-olate.
What is the SMILES notation for dilithium;6-(phenoxy)hexan-1-olate?
The canonical SMILES for dilithium;6-(phenoxy)hexan-1-olate is [Li+].[Li+].[O-]CCCCCCOc1[c-]cccc1.
What is the InChIKey of dilithium;6-(phenoxy)hexan-1-olate?
The InChIKey is OTNVIWOTYSIFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2.2Li/c13-10-6-1-2-7-11-14-12-8-4-3-5-9-12;;/h3-5,8H,1-2,6-7,10-11H2;;/q-2;2*+1.
What are the key properties of dilithium;6-(phenoxy)hexan-1-olate?
dilithium;6-(phenoxy)hexan-1-olate has a molecular weight of 206.14 g/mol, XLogP of -4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;6-(phenoxy)hexan-1-olate is sourced from PubChem (CID 23663861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).