potassium;2-heptan-2-ylpropanedioic acid;hydride

C10H19KO4 — CID 175224812

IUPACpotassium;2-heptan-2-ylpropanedioic acid;hydride
SMILESCCCCCC(C)C(C(=O)O)C(=O)O.[H-].[K+]
InChIInChI=1S/C10H18O4.K.H/c1-3-4-5-6-7(2)8(9(11)12)10(13)14;;/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14);;/q;+1;-1
InChIKeyFDCFSPYGZXOQGX-UHFFFAOYSA-N
MW242.36 g/mol
LogP-0.90
Rot. Bonds7

About potassium;2-heptan-2-ylpropanedioic acid;hydride

potassium;2-heptan-2-ylpropanedioic acid;hydride (PubChem CID 175224812) has the molecular formula C10H19KO4 and a molecular weight of 242.36 g/mol. Its IUPAC name is potassium;2-heptan-2-ylpropanedioic acid;hydride.

Molecular Properties

Compound Namepotassium;2-heptan-2-ylpropanedioic acid;hydride
PubChem CID175224812
Molecular FormulaC10H19KO4
Molecular Weight242.36 g/mol
Exact Mass242.09
IUPAC Namepotassium;2-heptan-2-ylpropanedioic acid;hydride
SMILESCCCCCC(C)C(C(=O)O)C(=O)O.[H-].[K+]
InChIInChI=1S/C10H18O4.K.H/c1-3-4-5-6-7(2)8(9(11)12)10(13)14;;/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14);;/q;+1;-1
InChIKeyFDCFSPYGZXOQGX-UHFFFAOYSA-N
XLogP-0.90
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-nonadecan-2-ylpropanedioic acid
CID 22179077
2-pentan-2-ylpropanedioic acid
CID 11469359
2-(4-methylundecan-2-yl)propanedioic acid
CID 118536076
sodium;hydride;2-(2-methyloctan-3-yl)propanedioic acid
CID 174968697
2-nonan-2-ylpropanedioyl dichloride
CID 22468236
2,9,10-trimethyloctadecanoic acid
CID 14298664
(2R)-2-hydroxy-3-methylundecanoic acid
CID 175805023
2,3,4-trimethyldecanoic acid
CID 150709082
(2R,3R,4S)-3-hydroxy-2,4-dimethyldecanoic acid
CID 135016059
methanol;2-methylheptanoic acid
CID 174821979
magnesium;2-decylpropanedioic acid;hydride
CID 174968780
heptane;2-methylheptadecanoic acid
CID 175511035

Frequently Asked Questions

What is the IUPAC name of potassium;2-heptan-2-ylpropanedioic acid;hydride?
The IUPAC name of potassium;2-heptan-2-ylpropanedioic acid;hydride (CID 175224812) is potassium;2-heptan-2-ylpropanedioic acid;hydride.
What is the SMILES notation for potassium;2-heptan-2-ylpropanedioic acid;hydride?
The canonical SMILES for potassium;2-heptan-2-ylpropanedioic acid;hydride is CCCCCC(C)C(C(=O)O)C(=O)O.[H-].[K+].
What is the InChIKey of potassium;2-heptan-2-ylpropanedioic acid;hydride?
The InChIKey is FDCFSPYGZXOQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.K.H/c1-3-4-5-6-7(2)8(9(11)12)10(13)14;;/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14);;/q;+1;-1.
What are the key properties of potassium;2-heptan-2-ylpropanedioic acid;hydride?
potassium;2-heptan-2-ylpropanedioic acid;hydride has a molecular weight of 242.36 g/mol, XLogP of -0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-heptan-2-ylpropanedioic acid;hydride is sourced from PubChem (CID 175224812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).