potassium 2,2,3-trimethylheptanoate

C10H19KO2 — CID 175224943

IUPACpotassium 2,2,3-trimethylheptanoate
SMILESCCCCC(C)C(C)(C)C(=O)[O-].[K+]
InChIInChI=1S/C10H20O2.K/c1-5-6-7-8(2)10(3,4)9(11)12;/h8H,5-7H2,1-4H3,(H,11,12);/q;+1/p-1
InChIKeyZVNUMFOVBDQYEF-UHFFFAOYSA-M
MW210.36 g/mol
LogP-1.41
Rot. Bonds5

About potassium 2,2,3-trimethylheptanoate

potassium 2,2,3-trimethylheptanoate (PubChem CID 175224943) has the molecular formula C10H19KO2 and a molecular weight of 210.36 g/mol. Its IUPAC name is potassium 2,2,3-trimethylheptanoate.

Molecular Properties

Compound Namepotassium 2,2,3-trimethylheptanoate
PubChem CID175224943
Molecular FormulaC10H19KO2
Molecular Weight210.36 g/mol
Exact Mass210.10
IUPAC Namepotassium 2,2,3-trimethylheptanoate
SMILESCCCCC(C)C(C)(C)C(=O)[O-].[K+]
InChIInChI=1S/C10H20O2.K/c1-5-6-7-8(2)10(3,4)9(11)12;/h8H,5-7H2,1-4H3,(H,11,12);/q;+1/p-1
InChIKeyZVNUMFOVBDQYEF-UHFFFAOYSA-M
XLogP-1.41
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

lithium;potassium;2-heptan-2-yl-2-methylpropanedioate
CID 139411138
potassium;sodium;2-methyl-2-octan-2-ylpropanedioate
CID 139411583
methyl 2,2,3-trimethylheptanoate
CID 87200659
3-hydroxy-3,4-dimethyloctan-2-one
CID 87291825
methyl 2,2,3-trimethylhexadecanoate
CID 87793421
magnesium;2-hexan-2-yl-2-methylpropanedioic acid;hydride
CID 174967737
(2R)-2-methylhexanoate
CID 6999857
tetrabutylphosphanium;2,2,2-trifluoroacetate
CID 87558348
4,5,5-trimethylundecan-6-one
CID 173241130
copper bis(2-methylhexanoate)
CID 19768945
4-butyl-2-methyloctan-3-one
CID 171426152
hydrogen carbonate;bis(tetrabutylphosphanium)
CID 139200490

Frequently Asked Questions

What is the IUPAC name of potassium 2,2,3-trimethylheptanoate?
The IUPAC name of potassium 2,2,3-trimethylheptanoate (CID 175224943) is potassium 2,2,3-trimethylheptanoate.
What is the SMILES notation for potassium 2,2,3-trimethylheptanoate?
The canonical SMILES for potassium 2,2,3-trimethylheptanoate is CCCCC(C)C(C)(C)C(=O)[O-].[K+].
What is the InChIKey of potassium 2,2,3-trimethylheptanoate?
The InChIKey is ZVNUMFOVBDQYEF-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20O2.K/c1-5-6-7-8(2)10(3,4)9(11)12;/h8H,5-7H2,1-4H3,(H,11,12);/q;+1/p-1.
What are the key properties of potassium 2,2,3-trimethylheptanoate?
potassium 2,2,3-trimethylheptanoate has a molecular weight of 210.36 g/mol, XLogP of -1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,2,3-trimethylheptanoate is sourced from PubChem (CID 175224943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).