6-methylheptanoate;rubidium(1+)

C8H15O2Rb — CID 88757744

IUPAC6-methylheptanoate;rubidium(1+)
SMILESCC(C)CCCCC(=O)[O-].[Rb+]
InChIInChI=1S/C8H16O2.Rb/c1-7(2)5-3-4-6-8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyIFWZGLSAEOLUTM-UHFFFAOYSA-M
MW228.67 g/mol
LogP-2.04
Rot. Bonds5

About 6-methylheptanoate;rubidium(1+)

6-methylheptanoate;rubidium(1+) (PubChem CID 88757744) has the molecular formula C8H15O2Rb and a molecular weight of 228.67 g/mol. Its IUPAC name is 6-methylheptanoate;rubidium(1+).

Molecular Properties

Compound Name6-methylheptanoate;rubidium(1+)
PubChem CID88757744
Molecular FormulaC8H15O2Rb
Molecular Weight228.67 g/mol
Exact Mass228.02
IUPAC Name6-methylheptanoate;rubidium(1+)
SMILESCC(C)CCCCC(=O)[O-].[Rb+]
InChIInChI=1S/C8H16O2.Rb/c1-7(2)5-3-4-6-8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyIFWZGLSAEOLUTM-UHFFFAOYSA-M
XLogP-2.04
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 5-2.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tris(6-methylheptanoate);terbium(3+)
CID 175061376
mercury(1+);6-methylheptanoate
CID 175025687
tetrakis(7-methyloctanoate);zirconium(4+)
CID 57346765
sodium 13-methyltetradecanoate
CID 44515571
calcium bis(16-methylheptadecanoate)
CID 6453880
sodium 5-methylhexanoate
CID 58914873
antimony(3+);decanoate;bis(6-methylheptanoate)
CID 20517200
bis(6-methylheptanoate);nickel(2+);triethylalumane
CID 175103404
4,4-dimethylpentanoate;manganese(2+);6-methylheptanoate
CID 23469993
calcium;7,7-dimethyloctanoate;7-methyloctanoate
CID 56843801
hexylazanium;16-methylheptadecanoate
CID 154824431
2-hydroxypropyl(trimethyl)azanium;8-methylnonanoate
CID 86734985

Frequently Asked Questions

What is the IUPAC name of 6-methylheptanoate;rubidium(1+)?
The IUPAC name of 6-methylheptanoate;rubidium(1+) (CID 88757744) is 6-methylheptanoate;rubidium(1+).
What is the SMILES notation for 6-methylheptanoate;rubidium(1+)?
The canonical SMILES for 6-methylheptanoate;rubidium(1+) is CC(C)CCCCC(=O)[O-].[Rb+].
What is the InChIKey of 6-methylheptanoate;rubidium(1+)?
The InChIKey is IFWZGLSAEOLUTM-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16O2.Rb/c1-7(2)5-3-4-6-8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1.
What are the key properties of 6-methylheptanoate;rubidium(1+)?
6-methylheptanoate;rubidium(1+) has a molecular weight of 228.67 g/mol, XLogP of -2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylheptanoate;rubidium(1+) is sourced from PubChem (CID 88757744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).