lithium bis(6-(2-ethoxyethoxy)hex-1-ene)

C20H38LiO4- — CID 164944018

IUPAClithium bis(6-(2-ethoxyethoxy)hex-1-ene)
SMILES[H]/[C-]=C\CCCCOCCOCC.[H]/[C-]=C\CCCCOCCOCC.[Li+]
InChIInChI=1S/2C10H19O2.Li/c2*1-3-5-6-7-8-12-10-9-11-4-2;/h2*1,3H,4-10H2,2H3;/q2*-1;+1
InChIKeyLCZJWHAUCFMKOZ-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.40
Rot. Bonds18

About lithium bis(6-(2-ethoxyethoxy)hex-1-ene)

lithium bis(6-(2-ethoxyethoxy)hex-1-ene) (PubChem CID 164944018) has the molecular formula C20H38LiO4- and a molecular weight of 349.46 g/mol. Its IUPAC name is lithium bis(6-(2-ethoxyethoxy)hex-1-ene).

Molecular Properties

Compound Namelithium bis(6-(2-ethoxyethoxy)hex-1-ene)
PubChem CID164944018
Molecular FormulaC20H38LiO4-
Molecular Weight349.46 g/mol
Exact Mass349.29
IUPAC Namelithium bis(6-(2-ethoxyethoxy)hex-1-ene)
SMILES[H]/[C-]=C\CCCCOCCOCC.[H]/[C-]=C\CCCCOCCOCC.[Li+]
InChIInChI=1S/2C10H19O2.Li/c2*1-3-5-6-7-8-12-10-9-11-4-2;/h2*1,3H,4-10H2,2H3;/q2*-1;+1
InChIKeyLCZJWHAUCFMKOZ-UHFFFAOYSA-N
XLogP1.40
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of lithium bis(6-(2-ethoxyethoxy)hex-1-ene)?
The IUPAC name of lithium bis(6-(2-ethoxyethoxy)hex-1-ene) (CID 164944018) is lithium bis(6-(2-ethoxyethoxy)hex-1-ene).
What is the SMILES notation for lithium bis(6-(2-ethoxyethoxy)hex-1-ene)?
The canonical SMILES for lithium bis(6-(2-ethoxyethoxy)hex-1-ene) is [H]/[C-]=C\CCCCOCCOCC.[H]/[C-]=C\CCCCOCCOCC.[Li+].
What is the InChIKey of lithium bis(6-(2-ethoxyethoxy)hex-1-ene)?
The InChIKey is LCZJWHAUCFMKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H19O2.Li/c2*1-3-5-6-7-8-12-10-9-11-4-2;/h2*1,3H,4-10H2,2H3;/q2*-1;+1.
What are the key properties of lithium bis(6-(2-ethoxyethoxy)hex-1-ene)?
lithium bis(6-(2-ethoxyethoxy)hex-1-ene) has a molecular weight of 349.46 g/mol, XLogP of 1.40, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium bis(6-(2-ethoxyethoxy)hex-1-ene) is sourced from PubChem (CID 164944018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).