lithium dodecylbenzene

C18H29Li — CID 140587981

IUPAClithium dodecylbenzene
SMILESCCCCCCCCCCCCc1[c-]cccc1.[Li+]
InChIInChI=1S/C18H29.Li/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16H,2-10,12,15H2,1H3;/q-1;+1
InChIKeyCFFLYLYGYVTMEP-UHFFFAOYSA-N
MW252.37 g/mol
LogP2.95
Rot. Bonds11

About lithium dodecylbenzene

lithium dodecylbenzene (PubChem CID 140587981) 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 CID140587981
Molecular FormulaC18H29Li
Molecular Weight252.37 g/mol
Exact Mass252.24
IUPAC Namelithium dodecylbenzene
SMILESCCCCCCCCCCCCc1[c-]cccc1.[Li+]
InChIInChI=1S/C18H29.Li/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16H,2-10,12,15H2,1H3;/q-1;+1
InChIKeyCFFLYLYGYVTMEP-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

dodecylbenzene;molybdenum
CID 174580500
magnesium;octylbenzene;chloride
CID 88593205
dioxomolybdenum;dodecylbenzene
CID 170645703
trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;dodecylbenzene
CID 162265086
sodium;decylbenzene;propanedioic acid
CID 174968000
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1,2-di(undecyl)benzene
CID 3019479
pentadecane;pentadecylbenzene
CID 174970881
1,2-dihexylbenzene;hydrate
CID 172833093

Frequently Asked Questions

What is the IUPAC name of lithium dodecylbenzene?
The IUPAC name of lithium dodecylbenzene (CID 140587981) is lithium dodecylbenzene.
What is the SMILES notation for lithium dodecylbenzene?
The canonical SMILES for lithium dodecylbenzene is CCCCCCCCCCCCc1[c-]cccc1.[Li+].
What is the InChIKey of lithium dodecylbenzene?
The InChIKey is CFFLYLYGYVTMEP-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;/h11,13-14,16H,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 140587981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).