lithium dodecylbenzene

C18H29Li — CID 134940671

IUPAClithium dodecylbenzene
SMILESCCCCCCCCCCCCc1cc[c-]cc1.[Li+]
InChIInChI=1S/C18H29.Li/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h13-14,16-17H,2-10,12,15H2,1H3;/q-1;+1
InChIKeyXOEDRDALYMOKRC-UHFFFAOYSA-N
MW252.37 g/mol
LogP2.95
Rot. Bonds11

About lithium dodecylbenzene

lithium dodecylbenzene (PubChem CID 134940671) has the molecular formula C18H29Li and a molecular weight of 252.37 g/mol. Its IUPAC name is lithium dodecylbenzene.

Molecular Properties

Compound Namelithium dodecylbenzene
PubChem CID134940671
Molecular FormulaC18H29Li
Molecular Weight252.37 g/mol
Exact Mass252.24
IUPAC Namelithium dodecylbenzene
SMILESCCCCCCCCCCCCc1cc[c-]cc1.[Li+]
InChIInChI=1S/C18H29.Li/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h13-14,16-17H,2-10,12,15H2,1H3;/q-1;+1
InChIKeyXOEDRDALYMOKRC-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

zinc hexylbenzene
CID 156642936
nickel;nonylbenzene
CID 142762749
zinc;decylbenzene;chloride
CID 162030336
magnesium;butylbenzene;bromide
CID 54724510
bromozinc(1+);1-heptyl-4-phenylbenzene
CID 146001623
nickel;nonylbenzene;(4-nonylphenyl)phosphonic acid
CID 157108010
1-butyl-4-nonylbenzene
CID 59545302
octylbenzene
CID 16607
pentanonacontylbenzene
CID 165359347
pentadecane;pentadecylbenzene
CID 174970881
1-ethyl-4-octacosylbenzene
CID 175218304
octacosylbenzene
CID 14228596

Frequently Asked Questions

What is the IUPAC name of lithium dodecylbenzene?
The IUPAC name of lithium dodecylbenzene (CID 134940671) is lithium dodecylbenzene.
What is the SMILES notation for lithium dodecylbenzene?
The canonical SMILES for lithium dodecylbenzene is CCCCCCCCCCCCc1cc[c-]cc1.[Li+].
What is the InChIKey of lithium dodecylbenzene?
The InChIKey is XOEDRDALYMOKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29.Li/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h13-14,16-17H,2-10,12,15H2,1H3;/q-1;+1.
What are the key properties of lithium dodecylbenzene?
lithium dodecylbenzene has a molecular weight of 252.37 g/mol, XLogP of 2.95, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium dodecylbenzene is sourced from PubChem (CID 134940671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).