lithium 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide

C10H13Li — CID 164876949

IUPAClithium 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide
SMILESCC1=[C-]C(C)C2=C1CCC2.[Li+]
InChIInChI=1S/C10H13.Li/c1-7-6-8(2)10-5-3-4-9(7)10;/h7H,3-5H2,1-2H3;/q-1;+1
InChIKeyKQRAWYGAQJXMRT-UHFFFAOYSA-N
MW140.16 g/mol
LogP-0.13
Rot. Bonds

About lithium 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide

lithium 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide (PubChem CID 164876949) has the molecular formula C10H13Li and a molecular weight of 140.16 g/mol. Its IUPAC name is lithium 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide.

Molecular Properties

Compound Namelithium 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide
PubChem CID164876949
Molecular FormulaC10H13Li
Molecular Weight140.16 g/mol
Exact Mass140.12
IUPAC Namelithium 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide
SMILESCC1=[C-]C(C)C2=C1CCC2.[Li+]
InChIInChI=1S/C10H13.Li/c1-7-6-8(2)10-5-3-4-9(7)10;/h7H,3-5H2,1-2H3;/q-1;+1
InChIKeyKQRAWYGAQJXMRT-UHFFFAOYSA-N
XLogP-0.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide?
The IUPAC name of lithium 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide (CID 164876949) is lithium 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide.
What is the SMILES notation for lithium 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide?
The canonical SMILES for lithium 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide is CC1=[C-]C(C)C2=C1CCC2.[Li+].
What is the InChIKey of lithium 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide?
The InChIKey is KQRAWYGAQJXMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13.Li/c1-7-6-8(2)10-5-3-4-9(7)10;/h7H,3-5H2,1-2H3;/q-1;+1.
What are the key properties of lithium 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide?
lithium 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide has a molecular weight of 140.16 g/mol, XLogP of -0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide is sourced from PubChem (CID 164876949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).