lithium heptadecane

C17H35Li — CID 12950399

IUPAClithium heptadecane
SMILES[CH2-]CCCCCCCCCCCCCCCC.[Li+]
InChIInChI=1S/C17H35.Li/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;/h1,3-17H2,2H3;/q-1;+1
InChIKeyQNBXGDRTFQOVBL-UHFFFAOYSA-N
MW246.41 g/mol
LogP3.70
Rot. Bonds14

About lithium heptadecane

lithium heptadecane (PubChem CID 12950399) has the molecular formula C17H35Li and a molecular weight of 246.41 g/mol. Its IUPAC name is lithium heptadecane.

Molecular Properties

Compound Namelithium heptadecane
PubChem CID12950399
Molecular FormulaC17H35Li
Molecular Weight246.41 g/mol
Exact Mass246.29
IUPAC Namelithium heptadecane
SMILES[CH2-]CCCCCCCCCCCCCCCC.[Li+]
InChIInChI=1S/C17H35.Li/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;/h1,3-17H2,2H3;/q-1;+1
InChIKeyQNBXGDRTFQOVBL-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Related Compounds

lithium tridecane
CID 11321439
lithium;copper(1+);bis(decane)
CID 10937095
heptadecane
CID 156905849
dilithium;carbanide;hexane
CID 174334686
cerium;dodecane
CID 154114371
dodecane;zirconium
CID 148549415
zinc heptane
CID 4204916
bis(octane);zinc
CID 175041964
sodium tritriacontane
CID 150964196
tetrakis(heptane);zirconium(4+)
CID 154501032
tris(heptane);vanadium
CID 59340167
manganese;tetradecane
CID 173260191

Frequently Asked Questions

What is the IUPAC name of lithium heptadecane?
The IUPAC name of lithium heptadecane (CID 12950399) is lithium heptadecane.
What is the SMILES notation for lithium heptadecane?
The canonical SMILES for lithium heptadecane is [CH2-]CCCCCCCCCCCCCCCC.[Li+].
What is the InChIKey of lithium heptadecane?
The InChIKey is QNBXGDRTFQOVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35.Li/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;/h1,3-17H2,2H3;/q-1;+1.
What are the key properties of lithium heptadecane?
lithium heptadecane has a molecular weight of 246.41 g/mol, XLogP of 3.70, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium heptadecane is sourced from PubChem (CID 12950399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).