lithium cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanolate

C11H19LiO2 — CID 101022876

IUPAClithium cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanolate
SMILESCC(C)(C)OC([O-])=C1CCCCC1.[Li+]
InChIInChI=1S/C11H20O2.Li/c1-11(2,3)13-10(12)9-7-5-4-6-8-9;/h12H,4-8H2,1-3H3;/q;+1/p-1
InChIKeyLVJUCJILQMXWRS-UHFFFAOYSA-M
MW190.21 g/mol
LogP-0.66
Rot. Bonds1

About lithium cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanolate

lithium cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanolate (PubChem CID 101022876) has the molecular formula C11H19LiO2 and a molecular weight of 190.21 g/mol. Its IUPAC name is lithium cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanolate.

Molecular Properties

Compound Namelithium cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanolate
PubChem CID101022876
Molecular FormulaC11H19LiO2
Molecular Weight190.21 g/mol
Exact Mass190.15
IUPAC Namelithium cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanolate
SMILESCC(C)(C)OC([O-])=C1CCCCC1.[Li+]
InChIInChI=1S/C11H20O2.Li/c1-11(2,3)13-10(12)9-7-5-4-6-8-9;/h12H,4-8H2,1-3H3;/q;+1/p-1
InChIKeyLVJUCJILQMXWRS-UHFFFAOYSA-M
XLogP-0.66
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze lithium cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanolate?
The IUPAC name of lithium cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanolate (CID 101022876) is lithium cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanolate.
What is the SMILES notation for lithium cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanolate?
The canonical SMILES for lithium cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanolate is CC(C)(C)OC([O-])=C1CCCCC1.[Li+].
What is the InChIKey of lithium cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanolate?
The InChIKey is LVJUCJILQMXWRS-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H20O2.Li/c1-11(2,3)13-10(12)9-7-5-4-6-8-9;/h12H,4-8H2,1-3H3;/q;+1/p-1.
What are the key properties of lithium cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanolate?
lithium cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanolate has a molecular weight of 190.21 g/mol, XLogP of -0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanolate is sourced from PubChem (CID 101022876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).