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

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Related Compounds

1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
1,2-bis(prop-1-en-2-yl)benzene;propane
CID 142274191
1,2-bis(prop-1-en-2-yl)benzene;1,4-xylene
CID 143494216
1,2-bis(prop-1-en-2-yl)benzene;toluene
CID 173384676
lithium 2-prop-1-en-2-ylbenzoate
CID 102161119
actinium;2-prop-1-en-2-ylphenol
CID 20669246
ethene;1-methyl-2-prop-1-en-2-ylbenzene
CID 142947701
2-prop-1-en-2-ylbenzenecarboximidamide
CID 147713579
sodium 2-prop-1-en-2-ylbenzenesulfonate
CID 23706375
ethane;N-(2-prop-1-en-2-ylphenyl)methanimine
CID 145330488
ethane;bis(1-ethenyl-2-prop-1-en-2-ylbenzene)
CID 144540747
azane;1-prop-1-en-2-ylnaphthalene
CID 122612227

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).