hafnium;2-propan-2-ylcyclopenta-1,3-diene

C8H12Hf — CID 175311105

IUPAChafnium;2-propan-2-ylcyclopenta-1,3-diene
SMILESCC(C)C1=CCC=C1.[Hf]
InChIInChI=1S/C8H12.Hf/c1-7(2)8-5-3-4-6-8;/h3,5-7H,4H2,1-2H3;
InChIKeyKWEFWCDLORPZCD-UHFFFAOYSA-N
MW286.67 g/mol
LogP2.53
Rot. Bonds1

About hafnium;2-propan-2-ylcyclopenta-1,3-diene

hafnium;2-propan-2-ylcyclopenta-1,3-diene (PubChem CID 175311105) has the molecular formula C8H12Hf and a molecular weight of 286.67 g/mol. Its IUPAC name is hafnium;2-propan-2-ylcyclopenta-1,3-diene.

Molecular Properties

Compound Namehafnium;2-propan-2-ylcyclopenta-1,3-diene
PubChem CID175311105
Molecular FormulaC8H12Hf
Molecular Weight286.67 g/mol
Exact Mass288.04
IUPAC Namehafnium;2-propan-2-ylcyclopenta-1,3-diene
SMILESCC(C)C1=CCC=C1.[Hf]
InChIInChI=1S/C8H12.Hf/c1-7(2)8-5-3-4-6-8;/h3,5-7H,4H2,1-2H3;
InChIKeyKWEFWCDLORPZCD-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.67
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of hafnium;2-propan-2-ylcyclopenta-1,3-diene?
The IUPAC name of hafnium;2-propan-2-ylcyclopenta-1,3-diene (CID 175311105) is hafnium;2-propan-2-ylcyclopenta-1,3-diene.
What is the SMILES notation for hafnium;2-propan-2-ylcyclopenta-1,3-diene?
The canonical SMILES for hafnium;2-propan-2-ylcyclopenta-1,3-diene is CC(C)C1=CCC=C1.[Hf].
What is the InChIKey of hafnium;2-propan-2-ylcyclopenta-1,3-diene?
The InChIKey is KWEFWCDLORPZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.Hf/c1-7(2)8-5-3-4-6-8;/h3,5-7H,4H2,1-2H3;.
What are the key properties of hafnium;2-propan-2-ylcyclopenta-1,3-diene?
hafnium;2-propan-2-ylcyclopenta-1,3-diene has a molecular weight of 286.67 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;2-propan-2-ylcyclopenta-1,3-diene is sourced from PubChem (CID 175311105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).