lithium;5-methylidenecyclohexa-1,3-diene;oxolane

C11H15LiO — CID 138397334

IUPAClithium;5-methylidenecyclohexa-1,3-diene;oxolane
SMILESC1CCOC1.C=C1C=CC=C[CH-]1.[Li+]
InChIInChI=1S/C7H7.C4H8O.Li/c1-7-5-3-2-4-6-7;1-2-4-5-3-1;/h2-6H,1H2;1-4H2;/q-1;;+1
InChIKeyRJIKCBAUOLHCNL-UHFFFAOYSA-N
MW170.18 g/mol
LogP-0.33
Rot. Bonds

About lithium;5-methylidenecyclohexa-1,3-diene;oxolane

lithium;5-methylidenecyclohexa-1,3-diene;oxolane (PubChem CID 138397334) has the molecular formula C11H15LiO and a molecular weight of 170.18 g/mol. Its IUPAC name is lithium;5-methylidenecyclohexa-1,3-diene;oxolane.

Molecular Properties

Compound Namelithium;5-methylidenecyclohexa-1,3-diene;oxolane
PubChem CID138397334
Molecular FormulaC11H15LiO
Molecular Weight170.18 g/mol
Exact Mass170.13
IUPAC Namelithium;5-methylidenecyclohexa-1,3-diene;oxolane
SMILESC1CCOC1.C=C1C=CC=C[CH-]1.[Li+]
InChIInChI=1S/C7H7.C4H8O.Li/c1-7-5-3-2-4-6-7;1-2-4-5-3-1;/h2-6H,1H2;1-4H2;/q-1;;+1
InChIKeyRJIKCBAUOLHCNL-UHFFFAOYSA-N
XLogP-0.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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;5-methylidenecyclohexa-1,3-diene;oxolane?
The IUPAC name of lithium;5-methylidenecyclohexa-1,3-diene;oxolane (CID 138397334) is lithium;5-methylidenecyclohexa-1,3-diene;oxolane.
What is the SMILES notation for lithium;5-methylidenecyclohexa-1,3-diene;oxolane?
The canonical SMILES for lithium;5-methylidenecyclohexa-1,3-diene;oxolane is C1CCOC1.C=C1C=CC=C[CH-]1.[Li+].
What is the InChIKey of lithium;5-methylidenecyclohexa-1,3-diene;oxolane?
The InChIKey is RJIKCBAUOLHCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.C4H8O.Li/c1-7-5-3-2-4-6-7;1-2-4-5-3-1;/h2-6H,1H2;1-4H2;/q-1;;+1.
What are the key properties of lithium;5-methylidenecyclohexa-1,3-diene;oxolane?
lithium;5-methylidenecyclohexa-1,3-diene;oxolane has a molecular weight of 170.18 g/mol, XLogP of -0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;5-methylidenecyclohexa-1,3-diene;oxolane is sourced from PubChem (CID 138397334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).