potassium;3,3-dimethylhexanoyl chloride;hydroxide

C8H16ClKO2 — CID 143631773

IUPACpotassium;3,3-dimethylhexanoyl chloride;hydroxide
SMILESCCCC(C)(C)CC(=O)Cl.[K+].[OH-]
InChIInChI=1S/C8H15ClO.K.H2O/c1-4-5-8(2,3)6-7(9)10;;/h4-6H2,1-3H3;;1H2/q;+1;/p-1
InChIKeyNCWIWBRQPJENET-UHFFFAOYSA-M
MW218.76 g/mol
LogP-0.20
Rot. Bonds4

About potassium;3,3-dimethylhexanoyl chloride;hydroxide

potassium;3,3-dimethylhexanoyl chloride;hydroxide (PubChem CID 143631773) has the molecular formula C8H16ClKO2 and a molecular weight of 218.76 g/mol. Its IUPAC name is potassium;3,3-dimethylhexanoyl chloride;hydroxide.

Molecular Properties

Compound Namepotassium;3,3-dimethylhexanoyl chloride;hydroxide
PubChem CID143631773
Molecular FormulaC8H16ClKO2
Molecular Weight218.76 g/mol
Exact Mass218.05
IUPAC Namepotassium;3,3-dimethylhexanoyl chloride;hydroxide
SMILESCCCC(C)(C)CC(=O)Cl.[K+].[OH-]
InChIInChI=1S/C8H15ClO.K.H2O/c1-4-5-8(2,3)6-7(9)10;;/h4-6H2,1-3H3;;1H2/q;+1;/p-1
InChIKeyNCWIWBRQPJENET-UHFFFAOYSA-M
XLogP-0.20
TPSA47.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.76
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyloctanoyl chloride
CID 56622990
1-methylethane-1,1,2-tricarbonyl chloride
CID 140524572
3-chloro-3-methylbutanoyl chloride
CID 11344131
6-bromo-3,3,5,5-tetramethylhexanoyl chloride
CID 87329367
3-amino-N-(2,2-dimethylpentyl)-3-methylbutanamide
CID 115155111
ethyl 3-tert-butyl-3-methylhexanoate
CID 134987959
ethyl 3,3-dimethylhexanoate;ethyl 5,5-dimethyl-3-oxooctanoate
CID 159254679
2-chloro-2-propylpentanoyl chloride
CID 14643541
3,3-dimethylhexane
CID 11233
ethyl 2-fluoro-2-methylpentanoate
CID 157367290
3,3-dimethyloctanoic acid
CID 20501381
ethyl 4-chloro-2,2-difluoro-4-oxobutanoate
CID 139536341

Frequently Asked Questions

What is the IUPAC name of potassium;3,3-dimethylhexanoyl chloride;hydroxide?
The IUPAC name of potassium;3,3-dimethylhexanoyl chloride;hydroxide (CID 143631773) is potassium;3,3-dimethylhexanoyl chloride;hydroxide.
What is the SMILES notation for potassium;3,3-dimethylhexanoyl chloride;hydroxide?
The canonical SMILES for potassium;3,3-dimethylhexanoyl chloride;hydroxide is CCCC(C)(C)CC(=O)Cl.[K+].[OH-].
What is the InChIKey of potassium;3,3-dimethylhexanoyl chloride;hydroxide?
The InChIKey is NCWIWBRQPJENET-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15ClO.K.H2O/c1-4-5-8(2,3)6-7(9)10;;/h4-6H2,1-3H3;;1H2/q;+1;/p-1.
What are the key properties of potassium;3,3-dimethylhexanoyl chloride;hydroxide?
potassium;3,3-dimethylhexanoyl chloride;hydroxide has a molecular weight of 218.76 g/mol, XLogP of -0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3,3-dimethylhexanoyl chloride;hydroxide is sourced from PubChem (CID 143631773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).