(3R,5R)-3,5-dimethyloctanoate;rubidium(1+)

C10H19O2Rb — CID 59788976

IUPAC(3R,5R)-3,5-dimethyloctanoate;rubidium(1+)
SMILESCCC[C@@H](C)C[C@@H](C)CC(=O)[O-].[Rb+]
InChIInChI=1S/C10H20O2.Rb/c1-4-5-8(2)6-9(3)7-10(11)12;/h8-9H,4-7H2,1-3H3,(H,11,12);/q;+1/p-1/t8-,9-;/m1./s1
InChIKeyOZVJXZBQJSXQAA-VTLYIQCISA-M
MW256.73 g/mol
LogP-1.41
Rot. Bonds6

About (3R,5R)-3,5-dimethyloctanoate;rubidium(1+)

(3R,5R)-3,5-dimethyloctanoate;rubidium(1+) (PubChem CID 59788976) has the molecular formula C10H19O2Rb and a molecular weight of 256.73 g/mol. Its IUPAC name is (3R,5R)-3,5-dimethyloctanoate;rubidium(1+).

Molecular Properties

Compound Name(3R,5R)-3,5-dimethyloctanoate;rubidium(1+)
PubChem CID59788976
Molecular FormulaC10H19O2Rb
Molecular Weight256.73 g/mol
Exact Mass256.05
IUPAC Name(3R,5R)-3,5-dimethyloctanoate;rubidium(1+)
SMILESCCC[C@@H](C)C[C@@H](C)CC(=O)[O-].[Rb+]
InChIInChI=1S/C10H20O2.Rb/c1-4-5-8(2)6-9(3)7-10(11)12;/h8-9H,4-7H2,1-3H3,(H,11,12);/q;+1/p-1/t8-,9-;/m1./s1
InChIKeyOZVJXZBQJSXQAA-VTLYIQCISA-M
XLogP-1.41
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 5-1.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 22322574
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CID 150096425
magnesium bis(3-propylhexanoate)
CID 88756226
3-hydroxy-4-methylheptanoate
CID 19853472
(3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride
CID 11701275
5-methyloctane-2,3-dione
CID 20560355
2-(2,4,6-trimethylnonyl)butanedioic acid
CID 89474289
sodium (3S)-4-hydroxy-3-methylbutanoate
CID 174528120
barium(2+);hydride;2-(2-methylpentyl)propanedioic acid
CID 174968550
2,4,6,8,10,12-hexamethylpentadecane
CID 15607000
2,4,6,8,10,12,14-heptamethylheptadecane
CID 91613417

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3,5-dimethyloctanoate;rubidium(1+)?
The IUPAC name of (3R,5R)-3,5-dimethyloctanoate;rubidium(1+) (CID 59788976) is (3R,5R)-3,5-dimethyloctanoate;rubidium(1+).
What is the SMILES notation for (3R,5R)-3,5-dimethyloctanoate;rubidium(1+)?
The canonical SMILES for (3R,5R)-3,5-dimethyloctanoate;rubidium(1+) is CCC[C@@H](C)C[C@@H](C)CC(=O)[O-].[Rb+].
What is the InChIKey of (3R,5R)-3,5-dimethyloctanoate;rubidium(1+)?
The InChIKey is OZVJXZBQJSXQAA-VTLYIQCISA-M. The full InChI is InChI=1S/C10H20O2.Rb/c1-4-5-8(2)6-9(3)7-10(11)12;/h8-9H,4-7H2,1-3H3,(H,11,12);/q;+1/p-1/t8-,9-;/m1./s1.
What are the key properties of (3R,5R)-3,5-dimethyloctanoate;rubidium(1+)?
(3R,5R)-3,5-dimethyloctanoate;rubidium(1+) has a molecular weight of 256.73 g/mol, XLogP of -1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3,5-dimethyloctanoate;rubidium(1+) is sourced from PubChem (CID 59788976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).