dipotassium;butan-2-ol;butan-2-yl acetate;2-methylbutanoate;methyl 2-methylbutanoate;hydroxide

C21H44K2O8 — CID 159082296

IUPACdipotassium;butan-2-ol;butan-2-yl acetate;2-methylbutanoate;methyl 2-methylbutanoate;hydroxide
SMILESCCC(C)C(=O)OC.CCC(C)C(=O)[O-].CCC(C)O.CCC(C)OC(C)=O.[K+].[K+].[OH-]
InChIInChI=1S/2C6H12O2.C5H10O2.C4H10O.2K.H2O/c1-4-5(2)6(7)8-3;1-4-5(2)8-6(3)7;1-3-4(2)5(6)7;1-3-4(2)5;;;/h2*5H,4H2,1-3H3;4H,3H2,1-2H3,(H,6,7);4-5H,3H2,1-2H3;;;1H2/q;;;;2*+1;/p-2
InChIKeyKAZXMOXIFDCOIM-UHFFFAOYSA-L
MW502.77 g/mol
LogP-3.06
Rot. Bonds7

About dipotassium;butan-2-ol;butan-2-yl acetate;2-methylbutanoate;methyl 2-methylbutanoate;hydroxide

dipotassium;butan-2-ol;butan-2-yl acetate;2-methylbutanoate;methyl 2-methylbutanoate;hydroxide (PubChem CID 159082296) has the molecular formula C21H44K2O8 and a molecular weight of 502.77 g/mol. Its IUPAC name is dipotassium;butan-2-ol;butan-2-yl acetate;2-methylbutanoate;methyl 2-methylbutanoate;hydroxide.

Molecular Properties

Compound Namedipotassium;butan-2-ol;butan-2-yl acetate;2-methylbutanoate;methyl 2-methylbutanoate;hydroxide
PubChem CID159082296
Molecular FormulaC21H44K2O8
Molecular Weight502.77 g/mol
Exact Mass502.23
IUPAC Namedipotassium;butan-2-ol;butan-2-yl acetate;2-methylbutanoate;methyl 2-methylbutanoate;hydroxide
SMILESCCC(C)C(=O)OC.CCC(C)C(=O)[O-].CCC(C)O.CCC(C)OC(C)=O.[K+].[K+].[OH-]
InChIInChI=1S/2C6H12O2.C5H10O2.C4H10O.2K.H2O/c1-4-5(2)6(7)8-3;1-4-5(2)8-6(3)7;1-3-4(2)5(6)7;1-3-4(2)5;;;/h2*5H,4H2,1-3H3;4H,3H2,1-2H3,(H,6,7);4-5H,3H2,1-2H3;;;1H2/q;;;;2*+1;/p-2
InChIKeyKAZXMOXIFDCOIM-UHFFFAOYSA-L
XLogP-3.06
TPSA142.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.77
LogP ≤ 5-3.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

sodium;butan-2-ol;butan-2-yl acetate;methane;hydroxide
CID 169429700
butan-2-ol;butan-2-yl acetate;(E)-but-2-ene
CID 167575507
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
2-methylbutanoate
CID 91073357
methyl 2-methylbutanoate;methyl 2-methylpropanoate
CID 175395072
cobalt(2+);bis((2R)-2-methylbutanoate)
CID 90199434
magnesium bis(2-methylbutanoate)
CID 88739715
bis(2-methylbutanoate);niobium(2+)
CID 18939928
butan-2-yl acetate;2-methylpropan-1-ol
CID 158287045
methyl 2-methylbutanoate;1,1,1-trifluoroethane
CID 91439197
dibutan-2-yl 2,4-dimethylpentanedioate
CID 588548
butan-2-ol;2-prop-1-en-2-yloxybutane
CID 159582124

Frequently Asked Questions

What is the IUPAC name of dipotassium;butan-2-ol;butan-2-yl acetate;2-methylbutanoate;methyl 2-methylbutanoate;hydroxide?
The IUPAC name of dipotassium;butan-2-ol;butan-2-yl acetate;2-methylbutanoate;methyl 2-methylbutanoate;hydroxide (CID 159082296) is dipotassium;butan-2-ol;butan-2-yl acetate;2-methylbutanoate;methyl 2-methylbutanoate;hydroxide.
What is the SMILES notation for dipotassium;butan-2-ol;butan-2-yl acetate;2-methylbutanoate;methyl 2-methylbutanoate;hydroxide?
The canonical SMILES for dipotassium;butan-2-ol;butan-2-yl acetate;2-methylbutanoate;methyl 2-methylbutanoate;hydroxide is CCC(C)C(=O)OC.CCC(C)C(=O)[O-].CCC(C)O.CCC(C)OC(C)=O.[K+].[K+].[OH-].
What is the InChIKey of dipotassium;butan-2-ol;butan-2-yl acetate;2-methylbutanoate;methyl 2-methylbutanoate;hydroxide?
The InChIKey is KAZXMOXIFDCOIM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H12O2.C5H10O2.C4H10O.2K.H2O/c1-4-5(2)6(7)8-3;1-4-5(2)8-6(3)7;1-3-4(2)5(6)7;1-3-4(2)5;;;/h2*5H,4H2,1-3H3;4H,3H2,1-2H3,(H,6,7);4-5H,3H2,1-2H3;;;1H2/q;;;;2*+1;/p-2.
What are the key properties of dipotassium;butan-2-ol;butan-2-yl acetate;2-methylbutanoate;methyl 2-methylbutanoate;hydroxide?
dipotassium;butan-2-ol;butan-2-yl acetate;2-methylbutanoate;methyl 2-methylbutanoate;hydroxide has a molecular weight of 502.77 g/mol, XLogP of -3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;butan-2-ol;butan-2-yl acetate;2-methylbutanoate;methyl 2-methylbutanoate;hydroxide is sourced from PubChem (CID 159082296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).