lithium;butane;prop-1-en-2-ylbenzene

C13H19Li — CID 173314205

IUPAClithium;butane;prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1.[CH2-]CCC.[Li+]
InChIInChI=1S/C9H10.C4H9.Li/c1-8(2)9-6-4-3-5-7-9;1-3-4-2;/h3-7H,1H2,2H3;1,3-4H2,2H3;/q;-1;+1
InChIKeyZCAVBYABPKPELY-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.34
Rot. Bonds2

About lithium;butane;prop-1-en-2-ylbenzene

lithium;butane;prop-1-en-2-ylbenzene (PubChem CID 173314205) has the molecular formula C13H19Li and a molecular weight of 182.24 g/mol. Its IUPAC name is lithium;butane;prop-1-en-2-ylbenzene.

Molecular Properties

Compound Namelithium;butane;prop-1-en-2-ylbenzene
PubChem CID173314205
Molecular FormulaC13H19Li
Molecular Weight182.24 g/mol
Exact Mass182.16
IUPAC Namelithium;butane;prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1.[CH2-]CCC.[Li+]
InChIInChI=1S/C9H10.C4H9.Li/c1-8(2)9-6-4-3-5-7-9;1-3-4-2;/h3-7H,1H2,2H3;1,3-4H2,2H3;/q;-1;+1
InChIKeyZCAVBYABPKPELY-UHFFFAOYSA-N
XLogP1.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methane;propane;prop-1-en-2-ylbenzene
CID 145329923
dilithium;hydride;tetrakis(prop-1-en-2-ylbenzene)
CID 173210084
prop-1-en-2-ylbenzene;silane
CID 174724970
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
ethane-1,2-diol;prop-1-en-2-ylbenzene
CID 68647860
ethenamine;prop-1-en-2-ylbenzene
CID 172805831
dodecane-1-thiol;prop-1-en-2-ylbenzene
CID 157159837
ethane;methoxymethane;prop-1-en-2-ylbenzene
CID 160714954
prop-1-en-2-ylbenzene;1,1,2,2-tetrafluoroethene
CID 161134762
1,3-bis(ethenyl)-2-ethylbenzene;prop-1-en-2-ylbenzene
CID 173010088
bis(prop-1-en-2-ylbenzene);styrene
CID 157311042
lithium;benzene;butane;styrene
CID 174564068

Frequently Asked Questions

What is the IUPAC name of lithium;butane;prop-1-en-2-ylbenzene?
The IUPAC name of lithium;butane;prop-1-en-2-ylbenzene (CID 173314205) is lithium;butane;prop-1-en-2-ylbenzene.
What is the SMILES notation for lithium;butane;prop-1-en-2-ylbenzene?
The canonical SMILES for lithium;butane;prop-1-en-2-ylbenzene is C=C(C)c1ccccc1.[CH2-]CCC.[Li+].
What is the InChIKey of lithium;butane;prop-1-en-2-ylbenzene?
The InChIKey is ZCAVBYABPKPELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C4H9.Li/c1-8(2)9-6-4-3-5-7-9;1-3-4-2;/h3-7H,1H2,2H3;1,3-4H2,2H3;/q;-1;+1.
What are the key properties of lithium;butane;prop-1-en-2-ylbenzene?
lithium;butane;prop-1-en-2-ylbenzene has a molecular weight of 182.24 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;butane;prop-1-en-2-ylbenzene is sourced from PubChem (CID 173314205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).