lithium 1,2-bis(prop-1-en-2-yl)benzene

C12H14Li+ — CID 22717015

IUPAClithium 1,2-bis(prop-1-en-2-yl)benzene
SMILESC=C(C)c1ccccc1C(=C)C.[Li+]
InChIInChI=1S/C12H14.Li/c1-9(2)11-7-5-6-8-12(11)10(3)4;/h5-8H,1,3H2,2,4H3;/q;+1
InChIKeyZCVKONCLGBSSEQ-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.76
Rot. Bonds2

About lithium 1,2-bis(prop-1-en-2-yl)benzene

lithium 1,2-bis(prop-1-en-2-yl)benzene (PubChem CID 22717015) has the molecular formula C12H14Li+ and a molecular weight of 165.18 g/mol. Its IUPAC name is lithium 1,2-bis(prop-1-en-2-yl)benzene.

Molecular Properties

Compound Namelithium 1,2-bis(prop-1-en-2-yl)benzene
PubChem CID22717015
Molecular FormulaC12H14Li+
Molecular Weight165.18 g/mol
Exact Mass165.13
IUPAC Namelithium 1,2-bis(prop-1-en-2-yl)benzene
SMILESC=C(C)c1ccccc1C(=C)C.[Li+]
InChIInChI=1S/C12H14.Li/c1-9(2)11-7-5-6-8-12(11)10(3)4;/h5-8H,1,3H2,2,4H3;/q;+1
InChIKeyZCVKONCLGBSSEQ-UHFFFAOYSA-N
XLogP0.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze lithium 1,2-bis(prop-1-en-2-yl)benzene 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 1,2-bis(prop-1-en-2-yl)benzene?
The IUPAC name of lithium 1,2-bis(prop-1-en-2-yl)benzene (CID 22717015) is lithium 1,2-bis(prop-1-en-2-yl)benzene.
What is the SMILES notation for lithium 1,2-bis(prop-1-en-2-yl)benzene?
The canonical SMILES for lithium 1,2-bis(prop-1-en-2-yl)benzene is C=C(C)c1ccccc1C(=C)C.[Li+].
What is the InChIKey of lithium 1,2-bis(prop-1-en-2-yl)benzene?
The InChIKey is ZCVKONCLGBSSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.Li/c1-9(2)11-7-5-6-8-12(11)10(3)4;/h5-8H,1,3H2,2,4H3;/q;+1.
What are the key properties of lithium 1,2-bis(prop-1-en-2-yl)benzene?
lithium 1,2-bis(prop-1-en-2-yl)benzene has a molecular weight of 165.18 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,2-bis(prop-1-en-2-yl)benzene is sourced from PubChem (CID 22717015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).