lithium;methanidylbenzene;pentane

C12H19Li — CID 159836636

IUPAClithium;methanidylbenzene;pentane
SMILESCCCCC.[CH2-]c1ccccc1.[Li+]
InChIInChI=1S/C7H7.C5H12.Li/c1-7-5-3-2-4-6-7;1-3-5-4-2;/h2-6H,1H2;3-5H2,1-2H3;/q-1;;+1
InChIKeyZOSMKVGITVBCQH-UHFFFAOYSA-N
MW170.22 g/mol
LogP1.07
Rot. Bonds2

About lithium;methanidylbenzene;pentane

lithium;methanidylbenzene;pentane (PubChem CID 159836636) has the molecular formula C12H19Li and a molecular weight of 170.22 g/mol. Its IUPAC name is lithium;methanidylbenzene;pentane.

Molecular Properties

Compound Namelithium;methanidylbenzene;pentane
PubChem CID159836636
Molecular FormulaC12H19Li
Molecular Weight170.22 g/mol
Exact Mass170.16
IUPAC Namelithium;methanidylbenzene;pentane
SMILESCCCCC.[CH2-]c1ccccc1.[Li+]
InChIInChI=1S/C7H7.C5H12.Li/c1-7-5-3-2-4-6-7;1-3-5-4-2;/h2-6H,1H2;3-5H2,1-2H3;/q-1;;+1
InChIKeyZOSMKVGITVBCQH-UHFFFAOYSA-N
XLogP1.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 51.07
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

bis(dibutylazanide);methanidylbenzene;titanium(4+)
CID 18315006
bis(dibutylazanide);hafnium(4+);methanidylbenzene
CID 18315045
ethanol;methanidylbenzene;titanium(3+)
CID 18314916
bromozinc(1+);methanidylbenzene
CID 6101044
lithium;methanidylbenzene;2-pentoxyacetic acid
CID 158678473
methanidylbenzene;uranium(2+)
CID 20736562
pentane;toluene;dihydrochloride
CID 174930487
CID 172832210
CID 172832210
magnesium;azane;methanidylbenzene;chloride
CID 172690401
1,1'-biphenyl;hexadecane
CID 173308514
magnesium;ethanol;methanidylbenzene
CID 87590211
methoxymethane;naphthalene;pentane
CID 91431163

Frequently Asked Questions

What is the IUPAC name of lithium;methanidylbenzene;pentane?
The IUPAC name of lithium;methanidylbenzene;pentane (CID 159836636) is lithium;methanidylbenzene;pentane.
What is the SMILES notation for lithium;methanidylbenzene;pentane?
The canonical SMILES for lithium;methanidylbenzene;pentane is CCCCC.[CH2-]c1ccccc1.[Li+].
What is the InChIKey of lithium;methanidylbenzene;pentane?
The InChIKey is ZOSMKVGITVBCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.C5H12.Li/c1-7-5-3-2-4-6-7;1-3-5-4-2;/h2-6H,1H2;3-5H2,1-2H3;/q-1;;+1.
What are the key properties of lithium;methanidylbenzene;pentane?
lithium;methanidylbenzene;pentane has a molecular weight of 170.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;methanidylbenzene;pentane is sourced from PubChem (CID 159836636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).