lithium 1,3-dipropylcyclohexane

C12H23Li — CID 22129109

IUPAClithium 1,3-dipropylcyclohexane
SMILESCCCC1[CH-]C(CCC)CCC1.[Li+]
InChIInChI=1S/C12H23.Li/c1-3-6-11-8-5-9-12(10-11)7-4-2;/h10-12H,3-9H2,1-2H3;/q-1;+1
InChIKeyDVMCYOUZLYHSRD-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.21
Rot. Bonds4

About lithium 1,3-dipropylcyclohexane

lithium 1,3-dipropylcyclohexane (PubChem CID 22129109) has the molecular formula C12H23Li and a molecular weight of 174.26 g/mol. Its IUPAC name is lithium 1,3-dipropylcyclohexane.

Molecular Properties

Compound Namelithium 1,3-dipropylcyclohexane
PubChem CID22129109
Molecular FormulaC12H23Li
Molecular Weight174.26 g/mol
Exact Mass174.20
IUPAC Namelithium 1,3-dipropylcyclohexane
SMILESCCCC1[CH-]C(CCC)CCC1.[Li+]
InChIInChI=1S/C12H23.Li/c1-3-6-11-8-5-9-12(10-11)7-4-2;/h10-12H,3-9H2,1-2H3;/q-1;+1
InChIKeyDVMCYOUZLYHSRD-UHFFFAOYSA-N
XLogP1.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze lithium 1,3-dipropylcyclohexane 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 1,3-dipropylcyclohexane?
The IUPAC name of lithium 1,3-dipropylcyclohexane (CID 22129109) is lithium 1,3-dipropylcyclohexane.
What is the SMILES notation for lithium 1,3-dipropylcyclohexane?
The canonical SMILES for lithium 1,3-dipropylcyclohexane is CCCC1[CH-]C(CCC)CCC1.[Li+].
What is the InChIKey of lithium 1,3-dipropylcyclohexane?
The InChIKey is DVMCYOUZLYHSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23.Li/c1-3-6-11-8-5-9-12(10-11)7-4-2;/h10-12H,3-9H2,1-2H3;/q-1;+1.
What are the key properties of lithium 1,3-dipropylcyclohexane?
lithium 1,3-dipropylcyclohexane has a molecular weight of 174.26 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,3-dipropylcyclohexane is sourced from PubChem (CID 22129109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).