hexanoic acid;hydride;rubidium(1+)

C6H13O2Rb — CID 173400776

IUPAChexanoic acid;hydride;rubidium(1+)
SMILESCCCCCC(=O)O.[H-].[Rb+]
InChIInChI=1S/C6H12O2.Rb.H/c1-2-3-4-5-6(7)8;;/h2-5H2,1H3,(H,7,8);;/q;+1;-1
InChIKeyLCNKTTOAOMHHBN-UHFFFAOYSA-N
MW202.64 g/mol
LogP-1.23
Rot. Bonds4

About hexanoic acid;hydride;rubidium(1+)

hexanoic acid;hydride;rubidium(1+) (PubChem CID 173400776) has the molecular formula C6H13O2Rb and a molecular weight of 202.64 g/mol. Its IUPAC name is hexanoic acid;hydride;rubidium(1+).

Molecular Properties

Compound Namehexanoic acid;hydride;rubidium(1+)
PubChem CID173400776
Molecular FormulaC6H13O2Rb
Molecular Weight202.64 g/mol
Exact Mass202.00
IUPAC Namehexanoic acid;hydride;rubidium(1+)
SMILESCCCCCC(=O)O.[H-].[Rb+]
InChIInChI=1S/C6H12O2.Rb.H/c1-2-3-4-5-6(7)8;;/h2-5H2,1H3,(H,7,8);;/q;+1;-1
InChIKeyLCNKTTOAOMHHBN-UHFFFAOYSA-N
XLogP-1.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

barium(2+);hexanoic acid;hydride
CID 173175887
decamagnesium;hydride;bis(octadecanoic acid)
CID 173211528
sodium;decanoic acid;hydride;tetradecanoic acid
CID 173314479
calcium;hydride;nonacosanoic acid
CID 173321722
disodium;hydride;tetradecanoic acid
CID 175149200
dimagnesium;hydride;octadecanoic acid;tetradecanoic acid
CID 174909227
barium(2+);hydride;tridecanoic acid
CID 174792677
calcium;hydride;tritriacontanoic acid
CID 173321714
calcium;hydride;bis(octanoic acid)
CID 174951959
sodium;dodecanoic acid;hydride
CID 173060618
calcium;dodecanoic acid;hydride
CID 172998116
disodium;hydride;icosanoic acid
CID 175560905

Frequently Asked Questions

What is the IUPAC name of hexanoic acid;hydride;rubidium(1+)?
The IUPAC name of hexanoic acid;hydride;rubidium(1+) (CID 173400776) is hexanoic acid;hydride;rubidium(1+).
What is the SMILES notation for hexanoic acid;hydride;rubidium(1+)?
The canonical SMILES for hexanoic acid;hydride;rubidium(1+) is CCCCCC(=O)O.[H-].[Rb+].
What is the InChIKey of hexanoic acid;hydride;rubidium(1+)?
The InChIKey is LCNKTTOAOMHHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.Rb.H/c1-2-3-4-5-6(7)8;;/h2-5H2,1H3,(H,7,8);;/q;+1;-1.
What are the key properties of hexanoic acid;hydride;rubidium(1+)?
hexanoic acid;hydride;rubidium(1+) has a molecular weight of 202.64 g/mol, XLogP of -1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexanoic acid;hydride;rubidium(1+) is sourced from PubChem (CID 173400776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).