barium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene)

C16H26Ba — CID 173388440

IUPACbarium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene)
SMILESCC(C)C1=CC=CC1.CC(C)C1=CC=CC1.[Ba+2].[H-].[H-]
InChIInChI=1S/2C8H12.Ba.2H/c2*1-7(2)8-5-3-4-6-8;;;/h2*3-5,7H,6H2,1-2H3;;;/q;;+2;2*-1
InChIKeyOIVUXRSNBKBISA-UHFFFAOYSA-N
MW355.71 g/mol
LogP4.90
Rot. Bonds2

About barium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene)

barium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene) (PubChem CID 173388440) has the molecular formula C16H26Ba and a molecular weight of 355.71 g/mol. Its IUPAC name is barium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene).

Molecular Properties

Compound Namebarium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene)
PubChem CID173388440
Molecular FormulaC16H26Ba
Molecular Weight355.71 g/mol
Exact Mass356.11
IUPAC Namebarium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene)
SMILESCC(C)C1=CC=CC1.CC(C)C1=CC=CC1.[Ba+2].[H-].[H-]
InChIInChI=1S/2C8H12.Ba.2H/c2*1-7(2)8-5-3-4-6-8;;;/h2*3-5,7H,6H2,1-2H3;;;/q;;+2;2*-1
InChIKeyOIVUXRSNBKBISA-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.71
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze barium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris(1-propan-2-ylcyclopenta-1,3-diene);terbium
CID 174728130
1-propan-2-ylcyclohepta-1,3,5-triene
CID 20800714
1-cyclopenta-1,3-dien-1-yl-N-methylethanamine
CID 12564950
1-propan-2-ylcyclohepta-1,3-diene
CID 20800715
1-(3-methoxybutan-2-yl)cyclopenta-1,3-diene
CID 20605412
1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;zirconium(4+);trichloride
CID 173014987
2-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
CID 45088275
1-cyclopenta-1,3-dien-1-ylethylbenzene
CID 11116496
1-cyclohepta-1,3,5-trien-1-ylethanethiol
CID 142981242
2,2-di(cyclopenta-1,3-dien-1-yl)ethanol
CID 22274817
cyclopenta-1,3-diene;(1R)-1-cyclopenta-1,3-dien-1-yl-N,N-dimethylethanamine;iron
CID 12564947
3-(1-cyclopenta-1,3-dien-1-ylethyl)pentane-2,4-dione
CID 102592191

Frequently Asked Questions

What is the IUPAC name of barium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene)?
The IUPAC name of barium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene) (CID 173388440) is barium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene).
What is the SMILES notation for barium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene)?
The canonical SMILES for barium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene) is CC(C)C1=CC=CC1.CC(C)C1=CC=CC1.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene)?
The InChIKey is OIVUXRSNBKBISA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H12.Ba.2H/c2*1-7(2)8-5-3-4-6-8;;;/h2*3-5,7H,6H2,1-2H3;;;/q;;+2;2*-1.
What are the key properties of barium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene)?
barium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene) has a molecular weight of 355.71 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene) is sourced from PubChem (CID 173388440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).