lithium ethoxybenzene

C8H9LiO — CID 15579198

IUPAClithium ethoxybenzene
SMILESCCOc1[c-]cccc1.[Li+]
InChIInChI=1S/C8H9O.Li/c1-2-9-8-6-4-3-5-7-8;/h3-6H,2H2,1H3;/q-1;+1
InChIKeyVHOUXTSYDYIBKI-UHFFFAOYSA-N
MW128.10 g/mol
LogP-1.11
Rot. Bonds2

About lithium ethoxybenzene

lithium ethoxybenzene (PubChem CID 15579198) has the molecular formula C8H9LiO and a molecular weight of 128.10 g/mol. Its IUPAC name is lithium ethoxybenzene.

Molecular Properties

Compound Namelithium ethoxybenzene
PubChem CID15579198
Molecular FormulaC8H9LiO
Molecular Weight128.10 g/mol
Exact Mass128.08
IUPAC Namelithium ethoxybenzene
SMILESCCOc1[c-]cccc1.[Li+]
InChIInChI=1S/C8H9O.Li/c1-2-9-8-6-4-3-5-7-8;/h3-6H,2H2,1H3;/q-1;+1
InChIKeyVHOUXTSYDYIBKI-UHFFFAOYSA-N
XLogP-1.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.10
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methanidyloxybenzene;uranium(2+)
CID 145059965
magnesium;1-ethoxy-2-methylbenzene-6-ide;bromide
CID 133144444
lithium diethyl(phenyl)phosphane
CID 134880031
ethoxybenzene chloride
CID 21193593
phenylmethylbenzene;tungsten(2+)
CID 23570247
ethoxybenzene;molecular iodine
CID 67763605
copper(1+);ethylsulfanylbenzene
CID 73192329
iridium;[6-(phenoxy)-2-pyridinyl]methanamine
CID 58107020
ethoxybenzene;ethoxyethane
CID 67764259
methylbenzene;praseodymium
CID 59896436
methylbenzene;tungsten
CID 58867867
lithium;1-ethoxynaphthalene;hydride
CID 174613942

Frequently Asked Questions

What is the IUPAC name of lithium ethoxybenzene?
The IUPAC name of lithium ethoxybenzene (CID 15579198) is lithium ethoxybenzene.
What is the SMILES notation for lithium ethoxybenzene?
The canonical SMILES for lithium ethoxybenzene is CCOc1[c-]cccc1.[Li+].
What is the InChIKey of lithium ethoxybenzene?
The InChIKey is VHOUXTSYDYIBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O.Li/c1-2-9-8-6-4-3-5-7-8;/h3-6H,2H2,1H3;/q-1;+1.
What are the key properties of lithium ethoxybenzene?
lithium ethoxybenzene has a molecular weight of 128.10 g/mol, XLogP of -1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium ethoxybenzene is sourced from PubChem (CID 15579198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).