dilithium;1-hexoxyhexane

C12H24Li2O — CID 22915545

IUPACdilithium;1-hexoxyhexane
SMILESCCCCC[CH-]O[CH-]CCCCC.[Li+].[Li+]
InChIInChI=1S/C12H24O.2Li/c1-3-5-7-9-11-13-12-10-8-6-4-2;;/h11-12H,3-10H2,1-2H3;;/q-2;2*+1
InChIKeyUPPXFTPARKEMQI-UHFFFAOYSA-N
MW198.20 g/mol
LogP-1.50
Rot. Bonds10

About dilithium;1-hexoxyhexane

dilithium;1-hexoxyhexane (PubChem CID 22915545) has the molecular formula C12H24Li2O and a molecular weight of 198.20 g/mol. Its IUPAC name is dilithium;1-hexoxyhexane.

Molecular Properties

Compound Namedilithium;1-hexoxyhexane
PubChem CID22915545
Molecular FormulaC12H24Li2O
Molecular Weight198.20 g/mol
Exact Mass198.21
IUPAC Namedilithium;1-hexoxyhexane
SMILESCCCCC[CH-]O[CH-]CCCCC.[Li+].[Li+]
InChIInChI=1S/C12H24O.2Li/c1-3-5-7-9-11-13-12-10-8-6-4-2;;/h11-12H,3-10H2,1-2H3;;/q-2;2*+1
InChIKeyUPPXFTPARKEMQI-UHFFFAOYSA-N
XLogP-1.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 5-1.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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;1-hexoxyhexane?
The IUPAC name of dilithium;1-hexoxyhexane (CID 22915545) is dilithium;1-hexoxyhexane.
What is the SMILES notation for dilithium;1-hexoxyhexane?
The canonical SMILES for dilithium;1-hexoxyhexane is CCCCC[CH-]O[CH-]CCCCC.[Li+].[Li+].
What is the InChIKey of dilithium;1-hexoxyhexane?
The InChIKey is UPPXFTPARKEMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O.2Li/c1-3-5-7-9-11-13-12-10-8-6-4-2;;/h11-12H,3-10H2,1-2H3;;/q-2;2*+1.
What are the key properties of dilithium;1-hexoxyhexane?
dilithium;1-hexoxyhexane has a molecular weight of 198.20 g/mol, XLogP of -1.50, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;1-hexoxyhexane is sourced from PubChem (CID 22915545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).