sodium 2-(2-cyclohexylethyl)pentanoate

C13H23NaO2 — CID 23662839

IUPACsodium 2-(2-cyclohexylethyl)pentanoate
SMILESCCCC(CCC1CCCCC1)C(=O)[O-].[Na+]
InChIInChI=1S/C13H24O2.Na/c1-2-6-12(13(14)15)10-9-11-7-4-3-5-8-11;/h11-12H,2-10H2,1H3,(H,14,15);/q;+1/p-1
InChIKeyWXLLJYUKAXGVRD-UHFFFAOYSA-M
MW234.31 g/mol
LogP-0.48
Rot. Bonds6

About sodium 2-(2-cyclohexylethyl)pentanoate

sodium 2-(2-cyclohexylethyl)pentanoate (PubChem CID 23662839) has the molecular formula C13H23NaO2 and a molecular weight of 234.31 g/mol. Its IUPAC name is sodium 2-(2-cyclohexylethyl)pentanoate.

Molecular Properties

Compound Namesodium 2-(2-cyclohexylethyl)pentanoate
PubChem CID23662839
Molecular FormulaC13H23NaO2
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Namesodium 2-(2-cyclohexylethyl)pentanoate
SMILESCCCC(CCC1CCCCC1)C(=O)[O-].[Na+]
InChIInChI=1S/C13H24O2.Na/c1-2-6-12(13(14)15)10-9-11-7-4-3-5-8-11;/h11-12H,2-10H2,1H3,(H,14,15);/q;+1/p-1
InChIKeyWXLLJYUKAXGVRD-UHFFFAOYSA-M
XLogP-0.48
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

magnesium bis(2-propylpentanoate)
CID 13327120
dilithium bis(2-propylpentanoate)
CID 140557398
ethyl (2S)-4-cyclohexyl-2-methylbutanoate
CID 59355198
2-(2-cyclopentylethyl)-N-ethyl-4,4-dimethylpentanamide
CID 70910476
1-cyclohexylhexan-3-amine
CID 43370456
5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid
CID 22665106
1-cyclopropyl-4-propylheptan-3-one
CID 114978233
2-cyclohexylethyl 2-iodopentanoate
CID 155659907
3-ethylhexylcyclopentane
CID 123372890
4-cyclohexylbutane-2-sulfonic acid
CID 88555201
propylcyclotetradecane
CID 90991550
sodium 3-cyclopentylpropanoate
CID 162201470

Frequently Asked Questions

What is the IUPAC name of sodium 2-(2-cyclohexylethyl)pentanoate?
The IUPAC name of sodium 2-(2-cyclohexylethyl)pentanoate (CID 23662839) is sodium 2-(2-cyclohexylethyl)pentanoate.
What is the SMILES notation for sodium 2-(2-cyclohexylethyl)pentanoate?
The canonical SMILES for sodium 2-(2-cyclohexylethyl)pentanoate is CCCC(CCC1CCCCC1)C(=O)[O-].[Na+].
What is the InChIKey of sodium 2-(2-cyclohexylethyl)pentanoate?
The InChIKey is WXLLJYUKAXGVRD-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H24O2.Na/c1-2-6-12(13(14)15)10-9-11-7-4-3-5-8-11;/h11-12H,2-10H2,1H3,(H,14,15);/q;+1/p-1.
What are the key properties of sodium 2-(2-cyclohexylethyl)pentanoate?
sodium 2-(2-cyclohexylethyl)pentanoate has a molecular weight of 234.31 g/mol, XLogP of -0.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2-cyclohexylethyl)pentanoate is sourced from PubChem (CID 23662839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).