potassium 2-ethyldodecanoate

C14H27KO2 — CID 90238812

IUPACpotassium 2-ethyldodecanoate
SMILESCCCCCCCCCCC(CC)C(=O)[O-].[K+]
InChIInChI=1S/C14H28O2.K/c1-3-5-6-7-8-9-10-11-12-13(4-2)14(15)16;/h13H,3-12H2,1-2H3,(H,15,16);/q;+1/p-1
InChIKeyDRXIBYQVPPXQSD-UHFFFAOYSA-M
MW266.47 g/mol
LogP0.30
Rot. Bonds11

About potassium 2-ethyldodecanoate

potassium 2-ethyldodecanoate (PubChem CID 90238812) has the molecular formula C14H27KO2 and a molecular weight of 266.47 g/mol. Its IUPAC name is potassium 2-ethyldodecanoate.

Molecular Properties

Compound Namepotassium 2-ethyldodecanoate
PubChem CID90238812
Molecular FormulaC14H27KO2
Molecular Weight266.47 g/mol
Exact Mass266.16
IUPAC Namepotassium 2-ethyldodecanoate
SMILESCCCCCCCCCCC(CC)C(=O)[O-].[K+]
InChIInChI=1S/C14H28O2.K/c1-3-5-6-7-8-9-10-11-12-13(4-2)14(15)16;/h13H,3-12H2,1-2H3,(H,15,16);/q;+1/p-1
InChIKeyDRXIBYQVPPXQSD-UHFFFAOYSA-M
XLogP0.30
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium 2-ethyloctanoate
CID 155386691
CID 21474875
CID 21474875
bis(2-ethylhexanoate);zirconium(2+)
CID 13388286
2-butylnonanoate
CID 20977072
(2S)-2-butyloctanoate
CID 86308644
bis(copper(1+));bis(2-ethylhexanoate)
CID 21116994
tetrakis(2-ethylhexanoate);tin(4+)
CID 22506300
gallium 2-ethylhexanoate
CID 21118224
tetrakis(2-ethylhexanoate);thorium(4+)
CID 175390088
bis(2-ethylhexanoate);molybdenum(2+)
CID 19602338
tetrakis(2-ethylhexanoate);bis(zirconium(4+))
CID 175920407
2-ethylhexanoate;tin(2+)
CID 23616604

Frequently Asked Questions

What is the IUPAC name of potassium 2-ethyldodecanoate?
The IUPAC name of potassium 2-ethyldodecanoate (CID 90238812) is potassium 2-ethyldodecanoate.
What is the SMILES notation for potassium 2-ethyldodecanoate?
The canonical SMILES for potassium 2-ethyldodecanoate is CCCCCCCCCCC(CC)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-ethyldodecanoate?
The InChIKey is DRXIBYQVPPXQSD-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H28O2.K/c1-3-5-6-7-8-9-10-11-12-13(4-2)14(15)16;/h13H,3-12H2,1-2H3,(H,15,16);/q;+1/p-1.
What are the key properties of potassium 2-ethyldodecanoate?
potassium 2-ethyldodecanoate has a molecular weight of 266.47 g/mol, XLogP of 0.30, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-ethyldodecanoate is sourced from PubChem (CID 90238812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).