sodium 2-cyclohexylethanolate

C8H15NaO — CID 23699277

IUPACsodium 2-cyclohexylethanolate
SMILES[Na+].[O-]CCC1CCCCC1
InChIInChI=1S/C8H15O.Na/c9-7-6-8-4-2-1-3-5-8;/h8H,1-7H2;/q-1;+1
InChIKeyANLBLBYOKYSWBB-UHFFFAOYSA-N
MW150.20 g/mol
LogP-1.68
Rot. Bonds2

About sodium 2-cyclohexylethanolate

sodium 2-cyclohexylethanolate (PubChem CID 23699277) has the molecular formula C8H15NaO and a molecular weight of 150.20 g/mol. Its IUPAC name is sodium 2-cyclohexylethanolate.

Molecular Properties

Compound Namesodium 2-cyclohexylethanolate
PubChem CID23699277
Molecular FormulaC8H15NaO
Molecular Weight150.20 g/mol
Exact Mass150.10
IUPAC Namesodium 2-cyclohexylethanolate
SMILES[Na+].[O-]CCC1CCCCC1
InChIInChI=1S/C8H15O.Na/c9-7-6-8-4-2-1-3-5-8;/h8H,1-7H2;/q-1;+1
InChIKeyANLBLBYOKYSWBB-UHFFFAOYSA-N
XLogP-1.68
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-1.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

magnesium bis(2-cyclohexylethanolate)
CID 175119053
potassium 2-cyclopropylethanolate
CID 143714530
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
4-cyclopentylbutylcyclohexane
CID 144547696
3-cyclobutylpropylcyclohexane
CID 54165208
lithium cyclohexylmethanolate
CID 175116860
2-fluoroethylcyclodecane
CID 70177675
propylcyclotetradecane
CID 90991550
2-cycloheptatriacontylethanamine
CID 70967764
2-cycloheptylethylsilane
CID 161372645
N-(2-cycloundecylethyl)cyclodecanamine
CID 155180877
N-(2-cycloheptylethyl)cyclopentanamine
CID 114457795

Frequently Asked Questions

What is the IUPAC name of sodium 2-cyclohexylethanolate?
The IUPAC name of sodium 2-cyclohexylethanolate (CID 23699277) is sodium 2-cyclohexylethanolate.
What is the SMILES notation for sodium 2-cyclohexylethanolate?
The canonical SMILES for sodium 2-cyclohexylethanolate is [Na+].[O-]CCC1CCCCC1.
What is the InChIKey of sodium 2-cyclohexylethanolate?
The InChIKey is ANLBLBYOKYSWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O.Na/c9-7-6-8-4-2-1-3-5-8;/h8H,1-7H2;/q-1;+1.
What are the key properties of sodium 2-cyclohexylethanolate?
sodium 2-cyclohexylethanolate has a molecular weight of 150.20 g/mol, XLogP of -1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-cyclohexylethanolate is sourced from PubChem (CID 23699277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).