lithium 1-phenylhex-1-en-2-ylbenzene

C18H19Li — CID 12626872

IUPAClithium 1-phenylhex-1-en-2-ylbenzene
SMILESCCCC/C(=[C-]\c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C18H19.Li/c1-2-3-12-18(17-13-8-5-9-14-17)15-16-10-6-4-7-11-16;/h4-11,13-14H,2-3,12H2,1H3;/q-1;+1
InChIKeyRDZRIVLWACQSGB-UHFFFAOYSA-N
MW242.29 g/mol
LogP2.12
Rot. Bonds5

About lithium 1-phenylhex-1-en-2-ylbenzene

lithium 1-phenylhex-1-en-2-ylbenzene (PubChem CID 12626872) has the molecular formula C18H19Li and a molecular weight of 242.29 g/mol. Its IUPAC name is lithium 1-phenylhex-1-en-2-ylbenzene.

Molecular Properties

Compound Namelithium 1-phenylhex-1-en-2-ylbenzene
PubChem CID12626872
Molecular FormulaC18H19Li
Molecular Weight242.29 g/mol
Exact Mass242.16
IUPAC Namelithium 1-phenylhex-1-en-2-ylbenzene
SMILESCCCC/C(=[C-]\c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C18H19.Li/c1-2-3-12-18(17-13-8-5-9-14-17)15-16-10-6-4-7-11-16;/h4-11,13-14H,2-3,12H2,1H3;/q-1;+1
InChIKeyRDZRIVLWACQSGB-UHFFFAOYSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 1-phenylhex-1-en-2-ylbenzene?
The IUPAC name of lithium 1-phenylhex-1-en-2-ylbenzene (CID 12626872) is lithium 1-phenylhex-1-en-2-ylbenzene.
What is the SMILES notation for lithium 1-phenylhex-1-en-2-ylbenzene?
The canonical SMILES for lithium 1-phenylhex-1-en-2-ylbenzene is CCCC/C(=[C-]\c1ccccc1)c1ccccc1.[Li+].
What is the InChIKey of lithium 1-phenylhex-1-en-2-ylbenzene?
The InChIKey is RDZRIVLWACQSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19.Li/c1-2-3-12-18(17-13-8-5-9-14-17)15-16-10-6-4-7-11-16;/h4-11,13-14H,2-3,12H2,1H3;/q-1;+1.
What are the key properties of lithium 1-phenylhex-1-en-2-ylbenzene?
lithium 1-phenylhex-1-en-2-ylbenzene has a molecular weight of 242.29 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-phenylhex-1-en-2-ylbenzene is sourced from PubChem (CID 12626872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).