potassium 3,3,5,5-tetramethylhexanoate

C10H19KO2 — CID 23686661

IUPACpotassium 3,3,5,5-tetramethylhexanoate
SMILESCC(C)(C)CC(C)(C)CC(=O)[O-].[K+]
InChIInChI=1S/C10H20O2.K/c1-9(2,3)7-10(4,5)6-8(11)12;/h6-7H2,1-5H3,(H,11,12);/q;+1/p-1
InChIKeyRMTFSBRZGYUNJL-UHFFFAOYSA-M
MW210.36 g/mol
LogP-1.41
Rot. Bonds3

About potassium 3,3,5,5-tetramethylhexanoate

potassium 3,3,5,5-tetramethylhexanoate (PubChem CID 23686661) has the molecular formula C10H19KO2 and a molecular weight of 210.36 g/mol. Its IUPAC name is potassium 3,3,5,5-tetramethylhexanoate.

Molecular Properties

Compound Namepotassium 3,3,5,5-tetramethylhexanoate
PubChem CID23686661
Molecular FormulaC10H19KO2
Molecular Weight210.36 g/mol
Exact Mass210.10
IUPAC Namepotassium 3,3,5,5-tetramethylhexanoate
SMILESCC(C)(C)CC(C)(C)CC(=O)[O-].[K+]
InChIInChI=1S/C10H20O2.K/c1-9(2,3)7-10(4,5)6-8(11)12;/h6-7H2,1-5H3,(H,11,12);/q;+1/p-1
InChIKeyRMTFSBRZGYUNJL-UHFFFAOYSA-M
XLogP-1.41
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 5-1.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of potassium 3,3,5,5-tetramethylhexanoate?
The IUPAC name of potassium 3,3,5,5-tetramethylhexanoate (CID 23686661) is potassium 3,3,5,5-tetramethylhexanoate.
What is the SMILES notation for potassium 3,3,5,5-tetramethylhexanoate?
The canonical SMILES for potassium 3,3,5,5-tetramethylhexanoate is CC(C)(C)CC(C)(C)CC(=O)[O-].[K+].
What is the InChIKey of potassium 3,3,5,5-tetramethylhexanoate?
The InChIKey is RMTFSBRZGYUNJL-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20O2.K/c1-9(2,3)7-10(4,5)6-8(11)12;/h6-7H2,1-5H3,(H,11,12);/q;+1/p-1.
What are the key properties of potassium 3,3,5,5-tetramethylhexanoate?
potassium 3,3,5,5-tetramethylhexanoate has a molecular weight of 210.36 g/mol, XLogP of -1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3,3,5,5-tetramethylhexanoate is sourced from PubChem (CID 23686661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).