methane;3-methoxy-5-oxohexanoate;rubidium(1+)

C9H19O4Rb — CID 157420385

IUPACmethane;3-methoxy-5-oxohexanoate;rubidium(1+)
SMILESC.C.COC(CC(C)=O)CC(=O)[O-].[Rb+]
InChIInChI=1S/C7H12O4.2CH4.Rb/c1-5(8)3-6(11-2)4-7(9)10;;;/h6H,3-4H2,1-2H3,(H,9,10);2*1H4;/q;;;+1/p-1
InChIKeyBPIIYAYIAKUBSR-UHFFFAOYSA-M
MW276.71 g/mol
LogP-2.60
Rot. Bonds5

About methane;3-methoxy-5-oxohexanoate;rubidium(1+)

methane;3-methoxy-5-oxohexanoate;rubidium(1+) (PubChem CID 157420385) has the molecular formula C9H19O4Rb and a molecular weight of 276.71 g/mol. Its IUPAC name is methane;3-methoxy-5-oxohexanoate;rubidium(1+).

Molecular Properties

Compound Namemethane;3-methoxy-5-oxohexanoate;rubidium(1+)
PubChem CID157420385
Molecular FormulaC9H19O4Rb
Molecular Weight276.71 g/mol
Exact Mass276.04
IUPAC Namemethane;3-methoxy-5-oxohexanoate;rubidium(1+)
SMILESC.C.COC(CC(C)=O)CC(=O)[O-].[Rb+]
InChIInChI=1S/C7H12O4.2CH4.Rb/c1-5(8)3-6(11-2)4-7(9)10;;;/h6H,3-4H2,1-2H3,(H,9,10);2*1H4;/q;;;+1/p-1
InChIKeyBPIIYAYIAKUBSR-UHFFFAOYSA-M
XLogP-2.60
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.71
LogP ≤ 5-2.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methoxy-5-oxohexanoate
CID 166967447
4-methoxyhexan-2-one;3-methoxypentanoic acid
CID 157200389
5-cyclohexyl-4-methoxypentan-2-one;methane
CID 158323784
4-methoxyundecan-2-one
CID 14005013
(4R)-4-methoxypentan-2-one
CID 10749159
phosphanylphosphanium acetate
CID 162334335
methane;4-methoxy-5-phenylmethoxypentan-2-one
CID 159731500
ethyl 6-methoxy-8-oxononanoate
CID 59791318
1-(4-fluorophenyl)-4-methoxyheptane-1,6-dione;methane
CID 160891216
4-methoxy-3-methylbutanoate
CID 22362636
6-(4-ethenylphenyl)-4-methoxyhexan-2-one;methane
CID 159532583
(2S)-2-methyl-4-oxopentanoate
CID 51382637

Frequently Asked Questions

What is the IUPAC name of methane;3-methoxy-5-oxohexanoate;rubidium(1+)?
The IUPAC name of methane;3-methoxy-5-oxohexanoate;rubidium(1+) (CID 157420385) is methane;3-methoxy-5-oxohexanoate;rubidium(1+).
What is the SMILES notation for methane;3-methoxy-5-oxohexanoate;rubidium(1+)?
The canonical SMILES for methane;3-methoxy-5-oxohexanoate;rubidium(1+) is C.C.COC(CC(C)=O)CC(=O)[O-].[Rb+].
What is the InChIKey of methane;3-methoxy-5-oxohexanoate;rubidium(1+)?
The InChIKey is BPIIYAYIAKUBSR-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H12O4.2CH4.Rb/c1-5(8)3-6(11-2)4-7(9)10;;;/h6H,3-4H2,1-2H3,(H,9,10);2*1H4;/q;;;+1/p-1.
What are the key properties of methane;3-methoxy-5-oxohexanoate;rubidium(1+)?
methane;3-methoxy-5-oxohexanoate;rubidium(1+) has a molecular weight of 276.71 g/mol, XLogP of -2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methoxy-5-oxohexanoate;rubidium(1+) is sourced from PubChem (CID 157420385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).