hafnium;bis(1-methylcyclopenta-1,3-diene)

C12H16Hf — CID 175907032

IUPAChafnium;bis(1-methylcyclopenta-1,3-diene)
SMILESCC1=CC=CC1.CC1=CC=CC1.[Hf]
InChIInChI=1S/2C6H8.Hf/c2*1-6-4-2-3-5-6;/h2*2-4H,5H2,1H3;
InChIKeyXCOLGFCGPOKIRT-UHFFFAOYSA-N
MW338.75 g/mol
LogP3.78
Rot. Bonds

About hafnium;bis(1-methylcyclopenta-1,3-diene)

hafnium;bis(1-methylcyclopenta-1,3-diene) (PubChem CID 175907032) has the molecular formula C12H16Hf and a molecular weight of 338.75 g/mol. Its IUPAC name is hafnium;bis(1-methylcyclopenta-1,3-diene).

Molecular Properties

Compound Namehafnium;bis(1-methylcyclopenta-1,3-diene)
PubChem CID175907032
Molecular FormulaC12H16Hf
Molecular Weight338.75 g/mol
Exact Mass340.07
IUPAC Namehafnium;bis(1-methylcyclopenta-1,3-diene)
SMILESCC1=CC=CC1.CC1=CC=CC1.[Hf]
InChIInChI=1S/2C6H8.Hf/c2*1-6-4-2-3-5-6;/h2*2-4H,5H2,1H3;
InChIKeyXCOLGFCGPOKIRT-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 161089151
magnesium;hydride;bis(1-methylcyclopenta-1,3-diene)
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CID 91025584
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CID 158476538
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methanamine;1-methylcyclohexa-1,3-diene
CID 142425195
ethane;methane;1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;toluene
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Frequently Asked Questions

What is the IUPAC name of hafnium;bis(1-methylcyclopenta-1,3-diene)?
The IUPAC name of hafnium;bis(1-methylcyclopenta-1,3-diene) (CID 175907032) is hafnium;bis(1-methylcyclopenta-1,3-diene).
What is the SMILES notation for hafnium;bis(1-methylcyclopenta-1,3-diene)?
The canonical SMILES for hafnium;bis(1-methylcyclopenta-1,3-diene) is CC1=CC=CC1.CC1=CC=CC1.[Hf].
What is the InChIKey of hafnium;bis(1-methylcyclopenta-1,3-diene)?
The InChIKey is XCOLGFCGPOKIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H8.Hf/c2*1-6-4-2-3-5-6;/h2*2-4H,5H2,1H3;.
What are the key properties of hafnium;bis(1-methylcyclopenta-1,3-diene)?
hafnium;bis(1-methylcyclopenta-1,3-diene) has a molecular weight of 338.75 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;bis(1-methylcyclopenta-1,3-diene) is sourced from PubChem (CID 175907032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).