lithium oct-4-yne

C8H13Li — CID 166436725

IUPAClithium oct-4-yne
SMILESCC[CH-]C#CCCC.[Li+]
InChIInChI=1S/C8H13.Li/c1-3-5-7-8-6-4-2;/h5H,3-4,6H2,1-2H3;/q-1;+1
InChIKeyRQYHWCQELOWHFZ-UHFFFAOYSA-N
MW116.13 g/mol
LogP-0.59
Rot. Bonds2

About lithium oct-4-yne

lithium oct-4-yne (PubChem CID 166436725) has the molecular formula C8H13Li and a molecular weight of 116.13 g/mol. Its IUPAC name is lithium oct-4-yne.

Molecular Properties

Compound Namelithium oct-4-yne
PubChem CID166436725
Molecular FormulaC8H13Li
Molecular Weight116.13 g/mol
Exact Mass116.12
IUPAC Namelithium oct-4-yne
SMILESCC[CH-]C#CCCC.[Li+]
InChIInChI=1S/C8H13.Li/c1-3-5-7-8-6-4-2;/h5H,3-4,6H2,1-2H3;/q-1;+1
InChIKeyRQYHWCQELOWHFZ-UHFFFAOYSA-N
XLogP-0.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.13
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

lithium hex-2-yne
CID 71319787
tetradeca-4,9-diyne
CID 173328648
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
dodeca-4,7-diyne
CID 173074460
undec-7-yn-1-ol
CID 10909966
bis(pent-1-ynyl)phosphane
CID 21096758
1-chlorohept-3-yne
CID 11434969
heptadeca-4,7,10-triyne
CID 171715223
methyl(pent-1-ynyl)silane
CID 172687235
methyl(pent-1-ynyl)mercury
CID 71319721
(Z)-oct-2-en-4-yn-1-ol;(E)-oct-2-en-4-yn-1-ol
CID 44889177

Frequently Asked Questions

What is the IUPAC name of lithium oct-4-yne?
The IUPAC name of lithium oct-4-yne (CID 166436725) is lithium oct-4-yne.
What is the SMILES notation for lithium oct-4-yne?
The canonical SMILES for lithium oct-4-yne is CC[CH-]C#CCCC.[Li+].
What is the InChIKey of lithium oct-4-yne?
The InChIKey is RQYHWCQELOWHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13.Li/c1-3-5-7-8-6-4-2;/h5H,3-4,6H2,1-2H3;/q-1;+1.
What are the key properties of lithium oct-4-yne?
lithium oct-4-yne has a molecular weight of 116.13 g/mol, XLogP of -0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium oct-4-yne is sourced from PubChem (CID 166436725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).