cesium cyclopenta-1,3-diene

C5H5Cs — CID 18362255

IUPACcesium cyclopenta-1,3-diene
SMILES[C-]1=CC=CC1.[Cs+]
InChIInChI=1S/C5H5.Cs/c1-2-4-5-3-1;/h1-3H,4H2;/q-1;+1
InChIKeyVJGOZCCCKDITIV-UHFFFAOYSA-N
MW198.00 g/mol
LogP-1.69
Rot. Bonds

About cesium cyclopenta-1,3-diene

cesium cyclopenta-1,3-diene (PubChem CID 18362255) has the molecular formula C5H5Cs and a molecular weight of 198.00 g/mol. Its IUPAC name is cesium cyclopenta-1,3-diene.

Molecular Properties

Compound Namecesium cyclopenta-1,3-diene
PubChem CID18362255
Molecular FormulaC5H5Cs
Molecular Weight198.00 g/mol
Exact Mass197.94
IUPAC Namecesium cyclopenta-1,3-diene
SMILES[C-]1=CC=CC1.[Cs+]
InChIInChI=1S/C5H5.Cs/c1-2-4-5-3-1;/h1-3H,4H2;/q-1;+1
InChIKeyVJGOZCCCKDITIV-UHFFFAOYSA-N
XLogP-1.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.00
LogP ≤ 5-1.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333
strontium bis(cyclopenta-1,3-diene)
CID 14513562
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
carbanide;cyclopenta-1,3-diene;osmium(2+)
CID 140608310
cyclopenta-1,3-diene;zirconium;trihydrofluoride
CID 173031456
tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride
CID 22239884
cyclopenta-1,3-diene;zirconium(4+);tetrachloride
CID 173166771
bis(cyclopenta-1,3-diene);rhodium(2+);chloride
CID 18934400
carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+)
CID 175390139
bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride
CID 20516591

Frequently Asked Questions

What is the IUPAC name of cesium cyclopenta-1,3-diene?
The IUPAC name of cesium cyclopenta-1,3-diene (CID 18362255) is cesium cyclopenta-1,3-diene.
What is the SMILES notation for cesium cyclopenta-1,3-diene?
The canonical SMILES for cesium cyclopenta-1,3-diene is [C-]1=CC=CC1.[Cs+].
What is the InChIKey of cesium cyclopenta-1,3-diene?
The InChIKey is VJGOZCCCKDITIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.Cs/c1-2-4-5-3-1;/h1-3H,4H2;/q-1;+1.
What are the key properties of cesium cyclopenta-1,3-diene?
cesium cyclopenta-1,3-diene has a molecular weight of 198.00 g/mol, XLogP of -1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cesium cyclopenta-1,3-diene is sourced from PubChem (CID 18362255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).