barium(2+);hydride;tridecanoic acid

C13H28BaO2 — CID 174792677

IUPACbarium(2+);hydride;tridecanoic acid
SMILESCCCCCCCCCCCCC(=O)O.[Ba+2].[H-].[H-]
InChIInChI=1S/C13H26O2.Ba.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15;;;/h2-12H2,1H3,(H,14,15);;;/q;+2;2*-1
InChIKeyFRGAYEIAOKQCJO-UHFFFAOYSA-N
MW353.69 g/mol
LogP4.23
Rot. Bonds11

About barium(2+);hydride;tridecanoic acid

barium(2+);hydride;tridecanoic acid (PubChem CID 174792677) has the molecular formula C13H28BaO2 and a molecular weight of 353.69 g/mol. Its IUPAC name is barium(2+);hydride;tridecanoic acid.

Molecular Properties

Compound Namebarium(2+);hydride;tridecanoic acid
PubChem CID174792677
Molecular FormulaC13H28BaO2
Molecular Weight353.69 g/mol
Exact Mass354.11
IUPAC Namebarium(2+);hydride;tridecanoic acid
SMILESCCCCCCCCCCCCC(=O)O.[Ba+2].[H-].[H-]
InChIInChI=1S/C13H26O2.Ba.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15;;;/h2-12H2,1H3,(H,14,15);;;/q;+2;2*-1
InChIKeyFRGAYEIAOKQCJO-UHFFFAOYSA-N
XLogP4.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.69
LogP ≤ 54.23
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

calcium;barium(2+);hydride;octadecanoic acid
CID 174423684
barium(2+);hexanoic acid;hydride
CID 173175887
barium(2+);octadecanoic acid
CID 23045344
calcium;hydride;tritriacontanoic acid
CID 173321714
calcium;hydride;nonacosanoic acid
CID 173321722
disodium;hydride;tetradecanoic acid
CID 175149200
sodium;decanoic acid;hydride;tetradecanoic acid
CID 173314479
dimagnesium;hydride;octadecanoic acid;tetradecanoic acid
CID 174909227
potassium;barium(2+);hexadecanoic acid;octadecanoic acid
CID 175848014
decamagnesium;hydride;bis(octadecanoic acid)
CID 173211528
calcium;hydride;bis(octanoic acid)
CID 174951959
sodium;dodecanoic acid;hydride
CID 173060618

Frequently Asked Questions

What is the IUPAC name of barium(2+);hydride;tridecanoic acid?
The IUPAC name of barium(2+);hydride;tridecanoic acid (CID 174792677) is barium(2+);hydride;tridecanoic acid.
What is the SMILES notation for barium(2+);hydride;tridecanoic acid?
The canonical SMILES for barium(2+);hydride;tridecanoic acid is CCCCCCCCCCCCC(=O)O.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);hydride;tridecanoic acid?
The InChIKey is FRGAYEIAOKQCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2.Ba.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15;;;/h2-12H2,1H3,(H,14,15);;;/q;+2;2*-1.
What are the key properties of barium(2+);hydride;tridecanoic acid?
barium(2+);hydride;tridecanoic acid has a molecular weight of 353.69 g/mol, XLogP of 4.23, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);hydride;tridecanoic acid is sourced from PubChem (CID 174792677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).