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

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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).